N-(6-cyclohexyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C29H30F2N6O — CID 166774287

About N-(6-cyclohexyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

N-(6-cyclohexyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 166774287) has the molecular formula C29H30F2N6O and a molecular weight of 516.60 g/mol. Its IUPAC name is N-(6-cyclohexyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(6-cyclohexyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 166774287
• Molecular Formula: C29H30F2N6O
• Molecular Weight: 516.60 g/mol
• Exact Mass: 516.24
• IUPAC Name: N-(6-cyclohexyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccc(C2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12
• InChI: InChI=1S/C29H30F2N6O/c30-29(31)10-11-37(18-29)17-19-12-22(15-32-14-19)21-6-8-26-24(13-21)27(36-35-26)28(38)34-23-7-9-25(33-16-23)20-4-2-1-3-5-20/h6-9,12-16,20H,1-5,10-11,17-18H2,(H,34,38)(H,35,36)
• InChIKey: ISNWDQSVRDSQBZ-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.60
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(6-cyclohexyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-(6-cyclohexyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 166774287) is N-(6-cyclohexyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-(6-cyclohexyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-(6-cyclohexyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(C2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.

What is the InChIKey of N-(6-cyclohexyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is ISNWDQSVRDSQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N6O/c30-29(31)10-11-37(18-29)17-19-12-22(15-32-14-19)21-6-8-26-24(13-21)27(36-35-26)28(38)34-23-7-9-25(33-16-23)20-4-2-1-3-5-20/h6-9,12-16,20H,1-5,10-11,17-18H2,(H,34,38)(H,35,36).

What are the key properties of N-(6-cyclohexyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

N-(6-cyclohexyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 516.60 g/mol, XLogP of 6.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-cyclohexyl-3-pyridinyl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 166774287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).