MVE

cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone

Created:	2019-10-24
Last modified:	2019-11-27

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1 entries where MVE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	78
Chiral Atom Count	0
Bond Count	83
Aromatic Bond Count	16

2D diagram of MVE

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Chemical Component Summary
Name	cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone
Systematic Name (OpenEye OEToolkits)	cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone
Formula	C₃₀ H₄₀ N₆ O₂
Molecular Weight	516.678
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cn4nccc(N5CCN(CC5)C(=O)C6CC6)c4c3
SMILES	OpenEye OEToolkits	2.0.7	CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cc4c(ccnn4c3)N5CCN(CC5)C(=O)C6CC6
Canonical SMILES	CACTVS	3.385	CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cn4nccc(N5CCN(CC5)C(=O)C6CC6)c4c3
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cc4c(ccnn4c3)N5CCN(CC5)C(=O)C6CC6
InChI	InChI	1.03	InChI=1S/C30H40N6O2/c1-4-38-30(10-13-33(14-11-30)22(2)3)25-7-8-26(31-20-25)24-19-28-27(9-12-32-36(28)21-24)34-15-17-35(18-16-34)29(37)23-5-6-23/h7-9,12,19-23H,4-6,10-11,13-18H2,1-3H3
InChIKey	InChI	1.03	JQUZALVIPZBANO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	132026221

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