V0D

7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine

Created:	2020-06-09
Last modified:	2021-08-04

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1 entries where V0D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	16

2D diagram of V0D

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Chemical Component Summary
Name	7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
Systematic Name (OpenEye OEToolkits)	7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine
Formula	C₂₀ H₂₃ F N₄
Molecular Weight	338.422
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1N(CCCCC1)c4n2c(c(cn2)c3ccc(cc3)F)nc(c4)CC
SMILES	CACTVS	3.385	CCc1cc(N2CCCCCC2)n3ncc(c4ccc(F)cc4)c3n1
SMILES	OpenEye OEToolkits	2.0.7	CCc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4
Canonical SMILES	CACTVS	3.385	CCc1cc(N2CCCCCC2)n3ncc(c4ccc(F)cc4)c3n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCc1cc(n2c(n1)c(cn2)c3ccc(cc3)F)N4CCCCCC4
InChI	InChI	1.03	InChI=1S/C20H23FN4/c1-2-17-13-19(24-11-5-3-4-6-12-24)25-20(23-17)18(14-22-25)15-7-9-16(21)10-8-15/h7-10,13-14H,2-6,11-12H2,1H3
InChIKey	InChI	1.03	BQIPJVLJUIILIA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	156587346

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.