(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[2,3-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]oxolan-2-one

C66H85N13O7 — CID 158878494

About (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[2,3-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]oxolan-2-one

(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[2,3-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]oxolan-2-one (PubChem CID 158878494) has the molecular formula C66H85N13O7 and a molecular weight of 1172.49 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[2,3-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]oxolan-2-one.

Molecular Properties

• Compound Name: (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[2,3-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]oxolan-2-one
• PubChem CID: 158878494
• Molecular Formula: C66H85N13O7
• Molecular Weight: 1172.49 g/mol
• Exact Mass: 1171.67
• IUPAC Name: (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[2,3-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]oxolan-2-one
• SMILES: Cc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(-c3cnn(CC(C)C)c3)cc2nn1C.Cc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)nc(-c3cnn(C(C)(C)C)c3)cc2nn1C.Cc1c2c(O[C@H](C)[C@H]3CCC(=O)O3)cc(-c3cnn(C(C)C)c3)cc2nn1C
• InChI: InChI=1S/C23H30N4O2.C22H29N5O2.C21H26N4O3/c1-14(2)12-27-13-19(11-24-27)18-9-21-23(15(3)26(5)25-21)22(10-18)29-16(4)17-6-7-20(28)8-17;1-13-20-19(25-26(13)6)10-18(16-11-23-27(12-16)22(3,4)5)24-21(20)29-14(2)15-7-8-17(28)9-15;1-12(2)25-11-16(10-22-25)15-8-17-21(13(3)24(5)23-17)19(9-15)27-14(4)18-6-7-20(26)28-18/h9-11,13-14,16-17H,6-8,12H2,1-5H3;10-12,14-15H,7-9H2,1-6H3;8-12,14,18H,6-7H2,1-5H3/t16-,17+;14-,15+;14-,18-/m111/s1
• InChIKey: JCSXTOGQEOVWLQ-UPLBWQGOSA-N
• XLogP: 12.37
• TPSA: 207.94 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1172.49
LogP ≤ 5	12.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[2,3-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]oxolan-2-one?

The IUPAC name of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[2,3-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]oxolan-2-one (CID 158878494) is (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[2,3-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]oxolan-2-one.

What is the SMILES notation for (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[2,3-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]oxolan-2-one?

The canonical SMILES for (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[2,3-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]oxolan-2-one is Cc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)cc(-c3cnn(CC(C)C)c3)cc2nn1C.Cc1c2c(O[C@H](C)[C@H]3CCC(=O)C3)nc(-c3cnn(C(C)(C)C)c3)cc2nn1C.Cc1c2c(O[C@H](C)[C@H]3CCC(=O)O3)cc(-c3cnn(C(C)C)c3)cc2nn1C.

What is the InChIKey of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[2,3-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]oxolan-2-one?

The InChIKey is JCSXTOGQEOVWLQ-UPLBWQGOSA-N. The full InChI is InChI=1S/C23H30N4O2.C22H29N5O2.C21H26N4O3/c1-14(2)12-27-13-19(11-24-27)18-9-21-23(15(3)26(5)25-21)22(10-18)29-16(4)17-6-7-20(28)8-17;1-13-20-19(25-26(13)6)10-18(16-11-23-27(12-16)22(3,4)5)24-21(20)29-14(2)15-7-8-17(28)9-15;1-12(2)25-11-16(10-22-25)15-8-17-21(13(3)24(5)23-17)19(9-15)27-14(4)18-6-7-20(26)28-18/h9-11,13-14,16-17H,6-8,12H2,1-5H3;10-12,14-15H,7-9H2,1-6H3;8-12,14,18H,6-7H2,1-5H3/t16-,17+;14-,15+;14-,18-/m111/s1.

What are the key properties of (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[2,3-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]oxolan-2-one?

(3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[2,3-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]oxolan-2-one has a molecular weight of 1172.49 g/mol, XLogP of 12.37, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]cyclopentan-1-one;(5R)-5-[(1R)-1-[2,3-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)indazol-4-yl]oxyethyl]oxolan-2-one is sourced from PubChem (CID 158878494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).