KUR

(8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one

Created:2022-02-15
Last modified:  2023-05-03

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Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count0
Bond Count71
Aromatic Bond Count17
2D diagram of KUR

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Chemical Component Summary

Name(8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
Systematic Name (OpenEye OEToolkits)5-(4-cyclohexylphenyl)-3-[3-(fluoranylmethyl)azetidin-1-yl]carbonyl-2-(3-methylpyrazin-2-yl)-4~{H}-pyrazolo[1,5-a]pyrimidin-7-one
FormulaC28 H29 F N6 O2
Molecular Weight500.567
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FCC1CN(C1)C(=O)c1c2NC(=CC(=O)n2nc1c1nccnc1C)c1ccc(cc1)C1CCCCC1
SMILESCACTVS3.385Cc1nccnc1c2nn3C(=O)C=C(Nc3c2C(=O)N4CC(CF)C4)c5ccc(cc5)C6CCCCC6
SMILESOpenEye OEToolkits2.0.7Cc1c(nccn1)c2c(c3n(n2)C(=O)C=C(N3)c4ccc(cc4)C5CCCCC5)C(=O)N6CC(C6)CF
Canonical SMILESCACTVS3.385 Cc1nccnc1c2nn3C(=O)C=C(Nc3c2C(=O)N4CC(CF)C4)c5ccc(cc5)C6CCCCC6
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1c(nccn1)c2c(c3n(n2)C(=O)C=C(N3)c4ccc(cc4)C5CCCCC5)C(=O)N6CC(C6)CF
InChIInChI1.03 InChI=1S/C28H29FN6O2/c1-17-25(31-12-11-30-17)26-24(28(37)34-15-18(14-29)16-34)27-32-22(13-23(36)35(27)33-26)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h7-13,18-19,32H,2-6,14-16H2,1H3
InChIKeyInChI1.03 UNRTVIQQMJRQLZ-UHFFFAOYSA-N