N-[(1R,3R)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide

C29H37N5O3 — CID 129010703

About N-[(1R,3R)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide

N-[(1R,3R)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide (PubChem CID 129010703) has the molecular formula C29H37N5O3 and a molecular weight of 503.65 g/mol. Its IUPAC name is N-[(1R,3R)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,3R)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
• PubChem CID: 129010703
• Molecular Formula: C29H37N5O3
• Molecular Weight: 503.65 g/mol
• Exact Mass: 503.29
• IUPAC Name: N-[(1R,3R)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
• SMILES: Cc1cc(C2NNC3CCC(C(=O)N[C@@H]4CCC[C@](O)(CN5C(=O)Cc6ccccc65)C4)CC32)ccn1
• InChI: InChI=1S/C29H37N5O3/c1-18-13-20(10-12-30-18)27-23-14-21(8-9-24(23)32-33-27)28(36)31-22-6-4-11-29(37,16-22)17-34-25-7-3-2-5-19(25)15-26(34)35/h2-3,5,7,10,12-13,21-24,27,32-33,37H,4,6,8-9,11,14-17H2,1H3,(H,31,36)/t21?,22-,23?,24?,27?,29-/m1/s1
• InChIKey: HVPXJGFUASGFBJ-TWQFDDELSA-N
• XLogP: 2.70
• TPSA: 106.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.65
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?

The IUPAC name of N-[(1R,3R)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide (CID 129010703) is N-[(1R,3R)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide.

What is the SMILES notation for N-[(1R,3R)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?

The canonical SMILES for N-[(1R,3R)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide is Cc1cc(C2NNC3CCC(C(=O)N[C@@H]4CCC[C@](O)(CN5C(=O)Cc6ccccc65)C4)CC32)ccn1.

What is the InChIKey of N-[(1R,3R)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?

The InChIKey is HVPXJGFUASGFBJ-TWQFDDELSA-N. The full InChI is InChI=1S/C29H37N5O3/c1-18-13-20(10-12-30-18)27-23-14-21(8-9-24(23)32-33-27)28(36)31-22-6-4-11-29(37,16-22)17-34-25-7-3-2-5-19(25)15-26(34)35/h2-3,5,7,10,12-13,21-24,27,32-33,37H,4,6,8-9,11,14-17H2,1H3,(H,31,36)/t21?,22-,23?,24?,27?,29-/m1/s1.

What are the key properties of N-[(1R,3R)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide?

N-[(1R,3R)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide has a molecular weight of 503.65 g/mol, XLogP of 2.70, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,3R)-3-hydroxy-3-[(2-oxo-3H-indol-1-yl)methyl]cyclohexyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 129010703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).