5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide

C28H32N6O3S — CID 118381798

About 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide

5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 118381798) has the molecular formula C28H32N6O3S and a molecular weight of 532.67 g/mol. Its IUPAC name is 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide
• PubChem CID: 118381798
• Molecular Formula: C28H32N6O3S
• Molecular Weight: 532.67 g/mol
• Exact Mass: 532.23
• IUPAC Name: 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide
• SMILES: CC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(S(=O)(=O)C(C)C)nc5)c4c3)c2)CC1
• InChI: InChI=1S/C28H32N6O3S/c1-18(2)38(36,37)26-7-5-23(16-30-26)31-28(35)27-24-13-21(4-6-25(24)32-33-27)22-12-20(14-29-15-22)17-34-10-8-19(3)9-11-34/h4-7,12-16,18-19H,8-11,17H2,1-3H3,(H,31,35)(H,32,33)
• InChIKey: QXLMNWFAKBGZQE-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 120.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.67
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide?

The IUPAC name of 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 118381798) is 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide is CC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(S(=O)(=O)C(C)C)nc5)c4c3)c2)CC1.

What is the InChIKey of 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide?

The InChIKey is QXLMNWFAKBGZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3S/c1-18(2)38(36,37)26-7-5-23(16-30-26)31-28(35)27-24-13-21(4-6-25(24)32-33-27)22-12-20(14-29-15-22)17-34-10-8-19(3)9-11-34/h4-7,12-16,18-19H,8-11,17H2,1-3H3,(H,31,35)(H,32,33).

What are the key properties of 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide?

5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 532.67 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).