(3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-[4-(4-methyl-3-methylidenepiperazin-1-yl)cyclohexyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

C81H101FN18O8 — CID 157497974

About (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-[4-(4-methyl-3-methylidenepiperazin-1-yl)cyclohexyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-[4-(4-methyl-3-methylidenepiperazin-1-yl)cyclohexyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 157497974) has the molecular formula C81H101FN18O8 and a molecular weight of 1473.81 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-[4-(4-methyl-3-methylidenepiperazin-1-yl)cyclohexyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

• Compound Name: (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-[4-(4-methyl-3-methylidenepiperazin-1-yl)cyclohexyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
• PubChem CID: 157497974
• Molecular Formula: C81H101FN18O8
• Molecular Weight: 1473.81 g/mol
• Exact Mass: 1472.80
• IUPAC Name: (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-[4-(4-methyl-3-methylidenepiperazin-1-yl)cyclohexyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
• SMILES: C=C1CN(C2CCC(n3cc(-c4cc5nn(C)cc5c(O[C@H](C)[C@H]5CCC(=O)C5)n4)cn3)CC2)CCN1C.C[C@@H](Oc1nc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)cc2nn(C)cc12)[C@@H]1CCC(=O)C1.C[C@@H](Oc1nc(-c2cnn(C3CCC(C)(F)CC3)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
• InChI: InChI=1S/C29H39N7O2.C28H32N6O4.C24H30FN5O2/c1-19-16-35(12-11-33(19)3)23-6-8-24(9-7-23)36-17-22(15-30-36)27-14-28-26(18-34(4)32-28)29(31-27)38-20(2)21-5-10-25(37)13-21;1-15(17-5-7-19(35)9-17)37-27-21-13-33(3)31-23(21)11-25(29-27)26-12-24-22(14-34(4)32-24)28(30-26)38-16(2)18-6-8-20(36)10-18;1-15(16-4-5-19(31)10-16)32-23-20-14-29(3)28-22(20)11-21(27-23)17-12-26-30(13-17)18-6-8-24(2,25)9-7-18/h14-15,17-18,20-21,23-24H,1,5-13,16H2,2-4H3;11-18H,5-10H2,1-4H3;11-16,18H,4-10H2,1-3H3/t20-,21+,23?,24?;15-,16-,17-,18+;15-,16+,18?,24?/m111/s1
• InChIKey: BYBDSAJANDRZFQ-FPJUUAPYSA-N
• XLogP: 13.21
• TPSA: 270.16 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1473.81
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-[4-(4-methyl-3-methylidenepiperazin-1-yl)cyclohexyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?

The IUPAC name of (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-[4-(4-methyl-3-methylidenepiperazin-1-yl)cyclohexyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (CID 157497974) is (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-[4-(4-methyl-3-methylidenepiperazin-1-yl)cyclohexyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.

What is the SMILES notation for (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-[4-(4-methyl-3-methylidenepiperazin-1-yl)cyclohexyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?

The canonical SMILES for (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-[4-(4-methyl-3-methylidenepiperazin-1-yl)cyclohexyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is C=C1CN(C2CCC(n3cc(-c4cc5nn(C)cc5c(O[C@H](C)[C@H]5CCC(=O)C5)n4)cn3)CC2)CCN1C.C[C@@H](Oc1nc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)cc2nn(C)cc12)[C@@H]1CCC(=O)C1.C[C@@H](Oc1nc(-c2cnn(C3CCC(C)(F)CC3)c2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.

What is the InChIKey of (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-[4-(4-methyl-3-methylidenepiperazin-1-yl)cyclohexyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?

The InChIKey is BYBDSAJANDRZFQ-FPJUUAPYSA-N. The full InChI is InChI=1S/C29H39N7O2.C28H32N6O4.C24H30FN5O2/c1-19-16-35(12-11-33(19)3)23-6-8-24(9-7-23)36-17-22(15-30-36)27-14-28-26(18-34(4)32-28)29(31-27)38-20(2)21-5-10-25(37)13-21;1-15(17-5-7-19(35)9-17)37-27-21-13-33(3)31-23(21)11-25(29-27)26-12-24-22(14-34(4)32-24)28(30-26)38-16(2)18-6-8-20(36)10-18;1-15(16-4-5-19(31)10-16)32-23-20-14-29(3)28-22(20)11-21(27-23)17-12-26-30(13-17)18-6-8-24(2,25)9-7-18/h14-15,17-18,20-21,23-24H,1,5-13,16H2,2-4H3;11-18H,5-10H2,1-4H3;11-16,18H,4-10H2,1-3H3/t20-,21+,23?,24?;15-,16-,17-,18+;15-,16+,18?,24?/m111/s1.

What are the key properties of (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-[4-(4-methyl-3-methylidenepiperazin-1-yl)cyclohexyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?

(3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-[4-(4-methyl-3-methylidenepiperazin-1-yl)cyclohexyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 1473.81 g/mol, XLogP of 13.21, 18 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-[4-(4-methyl-3-methylidenepiperazin-1-yl)cyclohexyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 157497974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).