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

C24H21F3N6O — CID 89451248

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

5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(5-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89451248) has the molecular formula C24H21F3N6O and a molecular weight of 466.47 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(5-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(5-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide
• PubChem CID: 89451248
• Molecular Formula: C24H21F3N6O
• Molecular Weight: 466.47 g/mol
• Exact Mass: 466.17
• IUPAC Name: 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(5-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1cncc(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12
• InChI: InChI=1S/C24H21F3N6O/c25-18-9-19(13-29-12-18)30-23(34)22-20-8-16(1-2-21(20)31-32-22)17-7-15(10-28-11-17)14-33-5-3-24(26,27)4-6-33/h1-2,7-13H,3-6,14H2,(H,30,34)(H,31,32)
• InChIKey: HIBAKVAFMLGTJC-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.47
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(5-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89451248) is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(5-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide.

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

The canonical SMILES for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(5-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1cncc(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.

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

The InChIKey is HIBAKVAFMLGTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O/c25-18-9-19(13-29-12-18)30-23(34)22-20-8-16(1-2-21(20)31-32-22)17-7-15(10-28-11-17)14-33-5-3-24(26,27)4-6-33/h1-2,7-13H,3-6,14H2,(H,30,34)(H,31,32).

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

5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(5-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 466.47 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(5-fluoro-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).