5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide

C31H30N6O — CID 118382472

About 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide

5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 118382472) has the molecular formula C31H30N6O and a molecular weight of 502.62 g/mol. Its IUPAC name is 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide
• PubChem CID: 118382472
• Molecular Formula: C31H30N6O
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.25
• IUPAC Name: 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide
• SMILES: CC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(-c6ccccc6)nc5)c4c3)c2)CC1
• InChI: InChI=1S/C31H30N6O/c1-21-11-13-37(14-12-21)20-22-15-25(18-32-17-22)24-7-9-29-27(16-24)30(36-35-29)31(38)34-26-8-10-28(33-19-26)23-5-3-2-4-6-23/h2-10,15-19,21H,11-14,20H2,1H3,(H,34,38)(H,35,36)
• InChIKey: HFUPGDTZPRPZKP-UHFFFAOYSA-N
• XLogP: 6.17
• 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	502.62
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 118382472) is 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide.

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

The canonical SMILES for 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide is CC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(-c6ccccc6)nc5)c4c3)c2)CC1.

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

The InChIKey is HFUPGDTZPRPZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O/c1-21-11-13-37(14-12-21)20-22-15-25(18-32-17-22)24-7-9-29-27(16-24)30(36-35-29)31(38)34-26-8-10-28(33-19-26)23-5-3-2-4-6-23/h2-10,15-19,21H,11-14,20H2,1H3,(H,34,38)(H,35,36).

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

5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 6.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).