5-[5-[(3,3-difluorocyclopentyl)methyl]-3-pyridinyl]-N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C29H23F3N6O — CID 122630513

About 5-[5-[(3,3-difluorocyclopentyl)methyl]-3-pyridinyl]-N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-[(3,3-difluorocyclopentyl)methyl]-3-pyridinyl]-N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 122630513) has the molecular formula C29H23F3N6O and a molecular weight of 528.54 g/mol. Its IUPAC name is 5-[5-[(3,3-difluorocyclopentyl)methyl]-3-pyridinyl]-N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(3,3-difluorocyclopentyl)methyl]-3-pyridinyl]-N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 122630513
• Molecular Formula: C29H23F3N6O
• Molecular Weight: 528.54 g/mol
• Exact Mass: 528.19
• IUPAC Name: 5-[5-[(3,3-difluorocyclopentyl)methyl]-3-pyridinyl]-N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccc(-c2cnccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CC4CCC(F)(F)C4)c3)cc12
• InChI: InChI=1S/C29H23F3N6O/c30-24-6-8-33-16-23(24)25-4-2-21(15-35-25)36-28(39)27-22-11-19(1-3-26(22)37-38-27)20-10-18(13-34-14-20)9-17-5-7-29(31,32)12-17/h1-4,6,8,10-11,13-17H,5,7,9,12H2,(H,36,39)(H,37,38)
• InChIKey: MAFRYYKGDFSXCY-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 96.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.54
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3,3-difluorocyclopentyl)methyl]-3-pyridinyl]-N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-[5-[(3,3-difluorocyclopentyl)methyl]-3-pyridinyl]-N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 122630513) is 5-[5-[(3,3-difluorocyclopentyl)methyl]-3-pyridinyl]-N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[5-[(3,3-difluorocyclopentyl)methyl]-3-pyridinyl]-N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[5-[(3,3-difluorocyclopentyl)methyl]-3-pyridinyl]-N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(-c2cnccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CC4CCC(F)(F)C4)c3)cc12.

What is the InChIKey of 5-[5-[(3,3-difluorocyclopentyl)methyl]-3-pyridinyl]-N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is MAFRYYKGDFSXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N6O/c30-24-6-8-33-16-23(24)25-4-2-21(15-35-25)36-28(39)27-22-11-19(1-3-26(22)37-38-27)20-10-18(13-34-14-20)9-17-5-7-29(31,32)12-17/h1-4,6,8,10-11,13-17H,5,7,9,12H2,(H,36,39)(H,37,38).

What are the key properties of 5-[5-[(3,3-difluorocyclopentyl)methyl]-3-pyridinyl]-N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

5-[5-[(3,3-difluorocyclopentyl)methyl]-3-pyridinyl]-N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 528.54 g/mol, XLogP of 6.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(3,3-difluorocyclopentyl)methyl]-3-pyridinyl]-N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 122630513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).