N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonylindazole-4-carboxamide

C30H37N7O5S — CID 139543591

About N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonylindazole-4-carboxamide

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonylindazole-4-carboxamide (PubChem CID 139543591) has the molecular formula C30H37N7O5S and a molecular weight of 607.74 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonylindazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonylindazole-4-carboxamide
• PubChem CID: 139543591
• Molecular Formula: C30H37N7O5S
• Molecular Weight: 607.74 g/mol
• Exact Mass: 607.26
• IUPAC Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonylindazole-4-carboxamide
• SMILES: COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc2c1c(C)nn2S(=O)(=O)C(C)C
• InChI: InChI=1S/C30H37N7O5S/c1-18(2)43(40,41)37-25-15-22(21-7-8-27(31-16-21)36-11-9-35(5)10-12-36)14-23(28(25)20(4)34-37)29(38)32-17-24-26(42-6)13-19(3)33-30(24)39/h7-8,13-16,18H,9-12,17H2,1-6H3,(H,32,38)(H,33,39)
• InChIKey: OITOVHUPIFGDCC-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 142.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.74
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonylindazole-4-carboxamide?

The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonylindazole-4-carboxamide (CID 139543591) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonylindazole-4-carboxamide.

What is the SMILES notation for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonylindazole-4-carboxamide?

The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonylindazole-4-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc2c1c(C)nn2S(=O)(=O)C(C)C.

What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonylindazole-4-carboxamide?

The InChIKey is OITOVHUPIFGDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O5S/c1-18(2)43(40,41)37-25-15-22(21-7-8-27(31-16-21)36-11-9-35(5)10-12-36)14-23(28(25)20(4)34-37)29(38)32-17-24-26(42-6)13-19(3)33-30(24)39/h7-8,13-16,18H,9-12,17H2,1-6H3,(H,32,38)(H,33,39).

What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonylindazole-4-carboxamide?

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonylindazole-4-carboxamide has a molecular weight of 607.74 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylsulfonylindazole-4-carboxamide is sourced from PubChem (CID 139543591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).