6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]-7-fluoro-2H-indazole-3-carboxamide

C24H22ClF3N6O4S — CID 167250865

About 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]-7-fluoro-2H-indazole-3-carboxamide

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]-7-fluoro-2H-indazole-3-carboxamide (PubChem CID 167250865) has the molecular formula C24H22ClF3N6O4S and a molecular weight of 582.99 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]-7-fluoro-2H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]-7-fluoro-2H-indazole-3-carboxamide
• PubChem CID: 167250865
• Molecular Formula: C24H22ClF3N6O4S
• Molecular Weight: 582.99 g/mol
• Exact Mass: 582.11
• IUPAC Name: 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]-7-fluoro-2H-indazole-3-carboxamide
• SMILES: COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NCCN(C)C)[nH]nc3c2F)c1F
• InChI: InChI=1S/C24H22ClF3N6O4S/c1-34(2)9-8-29-23(35)22-14-5-4-13(19(27)21(14)31-32-22)18-15(26)6-7-16(20(18)28)33-39(36,37)17-10-12(25)11-30-24(17)38-3/h4-7,10-11,33H,8-9H2,1-3H3,(H,29,35)(H,31,32)
• InChIKey: ZROGIFOLXFRACA-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 129.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.99
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]-7-fluoro-2H-indazole-3-carboxamide?

The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]-7-fluoro-2H-indazole-3-carboxamide (CID 167250865) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]-7-fluoro-2H-indazole-3-carboxamide.

What is the SMILES notation for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]-7-fluoro-2H-indazole-3-carboxamide?

The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]-7-fluoro-2H-indazole-3-carboxamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NCCN(C)C)[nH]nc3c2F)c1F.

What is the InChIKey of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]-7-fluoro-2H-indazole-3-carboxamide?

The InChIKey is ZROGIFOLXFRACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N6O4S/c1-34(2)9-8-29-23(35)22-14-5-4-13(19(27)21(14)31-32-22)18-15(26)6-7-16(20(18)28)33-39(36,37)17-10-12(25)11-30-24(17)38-3/h4-7,10-11,33H,8-9H2,1-3H3,(H,29,35)(H,31,32).

What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]-7-fluoro-2H-indazole-3-carboxamide?

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]-7-fluoro-2H-indazole-3-carboxamide has a molecular weight of 582.99 g/mol, XLogP of 3.80, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]-7-fluoro-2H-indazole-3-carboxamide is sourced from PubChem (CID 167250865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).