(3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

C73H90N12O9 — CID 162246222

About (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 162246222) has the molecular formula C73H90N12O9 and a molecular weight of 1279.60 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

• Compound Name: (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
• PubChem CID: 162246222
• Molecular Formula: C73H90N12O9
• Molecular Weight: 1279.60 g/mol
• Exact Mass: 1278.70
• IUPAC Name: (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
• SMILES: COc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)ccc1OC(C)C.C[C@@H](Oc1nc(-c2ccc(C3CCN(C)CC3)cc2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.Cc1nn(C2CCOCC2)cc1-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CCC(=O)C2)n1
• InChI: InChI=1S/C26H32N4O2.C24H29N3O4.C23H29N5O3/c1-17(21-8-9-22(31)14-21)32-26-23-16-30(3)28-25(23)15-24(27-26)20-6-4-18(5-7-20)19-10-12-29(2)13-11-19;1-14(2)30-22-9-7-17(11-23(22)29-5)20-12-21-19(13-27(4)26-21)24(25-20)31-15(3)16-6-8-18(28)10-16;1-14-19(13-28(25-14)17-6-8-30-9-7-17)21-11-22-20(12-27(3)26-22)23(24-21)31-15(2)16-4-5-18(29)10-16/h4-7,15-17,19,21H,8-14H2,1-3H3;7,9,11-16H,6,8,10H2,1-5H3;11-13,15-17H,4-10H2,1-3H3/t17-,21+;2*15-,16+/m111/s1
• InChIKey: ZXJDKRMEWMTITH-VAUSFNNGSA-N
• XLogP: 12.78
• TPSA: 219.78 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1279.60
LogP ≤ 5	12.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?

The IUPAC name of (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (CID 162246222) is (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.

What is the SMILES notation for (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?

The canonical SMILES for (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is COc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)ccc1OC(C)C.C[C@@H](Oc1nc(-c2ccc(C3CCN(C)CC3)cc2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.Cc1nn(C2CCOCC2)cc1-c1cc2nn(C)cc2c(O[C@H](C)[C@H]2CCC(=O)C2)n1.

What is the InChIKey of (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?

The InChIKey is ZXJDKRMEWMTITH-VAUSFNNGSA-N. The full InChI is InChI=1S/C26H32N4O2.C24H29N3O4.C23H29N5O3/c1-17(21-8-9-22(31)14-21)32-26-23-16-30(3)28-25(23)15-24(27-26)20-6-4-18(5-7-20)19-10-12-29(2)13-11-19;1-14(2)30-22-9-7-17(11-23(22)29-5)20-12-21-19(13-27(4)26-21)24(25-20)31-15(3)16-6-8-18(28)10-16;1-14-19(13-28(25-14)17-6-8-30-9-7-17)21-11-22-20(12-27(3)26-22)23(24-21)31-15(2)16-4-5-18(29)10-16/h4-7,15-17,19,21H,8-14H2,1-3H3;7,9,11-16H,6,8,10H2,1-5H3;11-13,15-17H,4-10H2,1-3H3/t17-,21+;2*15-,16+/m111/s1.

What are the key properties of (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?

(3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 1279.60 g/mol, XLogP of 12.78, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[(1R)-1-[6-(3-methoxy-4-propan-2-yloxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 162246222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).