N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C30H31F2N7O2 — CID 89451092

About N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89451092) has the molecular formula C30H31F2N7O2 and a molecular weight of 559.62 g/mol. Its IUPAC name is N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 89451092
• Molecular Formula: C30H31F2N7O2
• Molecular Weight: 559.62 g/mol
• Exact Mass: 559.25
• IUPAC Name: N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(NC1CCCC1)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1
• InChI: InChI=1S/C30H31F2N7O2/c31-30(32)9-11-39(12-10-30)18-19-13-21(16-33-15-19)20-5-7-25-24(14-20)27(38-37-25)29(41)36-23-6-8-26(34-17-23)28(40)35-22-3-1-2-4-22/h5-8,13-17,22H,1-4,9-12,18H2,(H,35,40)(H,36,41)(H,37,38)
• InChIKey: SEIHYIUNHQIWBJ-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 115.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.62
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89451092) is N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

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

The canonical SMILES for N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(NC1CCCC1)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.

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

The InChIKey is SEIHYIUNHQIWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N7O2/c31-30(32)9-11-39(12-10-30)18-19-13-21(16-33-15-19)20-5-7-25-24(14-20)27(38-37-25)29(41)36-23-6-8-26(34-17-23)28(40)35-22-3-1-2-4-22/h5-8,13-17,22H,1-4,9-12,18H2,(H,35,40)(H,36,41)(H,37,38).

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

N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 559.62 g/mol, XLogP of 5.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).