2-pyrazolo[3,4-c]pyridin-6-yl-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone

C28H39N3O — CID 134179896

About 2-pyrazolo[3,4-c]pyridin-6-yl-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone

2-pyrazolo[3,4-c]pyridin-6-yl-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone (PubChem CID 134179896) has the molecular formula C28H39N3O and a molecular weight of 433.64 g/mol. Its IUPAC name is 2-pyrazolo[3,4-c]pyridin-6-yl-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone.

Molecular Properties

• Compound Name: 2-pyrazolo[3,4-c]pyridin-6-yl-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
• PubChem CID: 134179896
• Molecular Formula: C28H39N3O
• Molecular Weight: 433.64 g/mol
• Exact Mass: 433.31
• IUPAC Name: 2-pyrazolo[3,4-c]pyridin-6-yl-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
• SMILES: CC1CCC2(C)C(CCC3C2CCC2(C)C(C(=O)Cn4ccc5cnnc-5c4)CCC32)C1
• InChI: InChI=1S/C28H39N3O/c1-18-8-11-27(2)20(14-18)4-5-21-22-6-7-24(28(22,3)12-9-23(21)27)26(32)17-31-13-10-19-15-29-30-25(19)16-31/h10,13,15-16,18,20-24H,4-9,11-12,14,17H2,1-3H3
• InChIKey: PSOPAUIHOJMYKE-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 47.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.64
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-pyrazolo[3,4-c]pyridin-6-yl-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone?

The IUPAC name of 2-pyrazolo[3,4-c]pyridin-6-yl-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone (CID 134179896) is 2-pyrazolo[3,4-c]pyridin-6-yl-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone.

What is the SMILES notation for 2-pyrazolo[3,4-c]pyridin-6-yl-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone?

The canonical SMILES for 2-pyrazolo[3,4-c]pyridin-6-yl-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone is CC1CCC2(C)C(CCC3C2CCC2(C)C(C(=O)Cn4ccc5cnnc-5c4)CCC32)C1.

What is the InChIKey of 2-pyrazolo[3,4-c]pyridin-6-yl-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone?

The InChIKey is PSOPAUIHOJMYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O/c1-18-8-11-27(2)20(14-18)4-5-21-22-6-7-24(28(22,3)12-9-23(21)27)26(32)17-31-13-10-19-15-29-30-25(19)16-31/h10,13,15-16,18,20-24H,4-9,11-12,14,17H2,1-3H3.

What are the key properties of 2-pyrazolo[3,4-c]pyridin-6-yl-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone?

2-pyrazolo[3,4-c]pyridin-6-yl-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone has a molecular weight of 433.64 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyrazolo[3,4-c]pyridin-6-yl-1-(3,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone is sourced from PubChem (CID 134179896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).