6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(4-hydroxybutan-2-yl)-2H-indazole-3-carboxamide

C24H21ClF3N5O5S — CID 155193359

About 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(4-hydroxybutan-2-yl)-2H-indazole-3-carboxamide

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(4-hydroxybutan-2-yl)-2H-indazole-3-carboxamide (PubChem CID 155193359) has the molecular formula C24H21ClF3N5O5S and a molecular weight of 583.98 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(4-hydroxybutan-2-yl)-2H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(4-hydroxybutan-2-yl)-2H-indazole-3-carboxamide
• PubChem CID: 155193359
• Molecular Formula: C24H21ClF3N5O5S
• Molecular Weight: 583.98 g/mol
• Exact Mass: 583.09
• IUPAC Name: 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(4-hydroxybutan-2-yl)-2H-indazole-3-carboxamide
• SMILES: COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NC(C)CCO)[nH]nc3c2F)c1F
• InChI: InChI=1S/C24H21ClF3N5O5S/c1-11(7-8-34)30-23(35)22-14-4-3-13(19(27)21(14)31-32-22)18-15(26)5-6-16(20(18)28)33-39(36,37)17-9-12(25)10-29-24(17)38-2/h3-6,9-11,33-34H,7-8H2,1-2H3,(H,30,35)(H,31,32)
• InChIKey: MEDBHWSIVNDSNQ-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 146.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.98
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	4
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]-7-fluoro-N-(4-hydroxybutan-2-yl)-2H-indazole-3-carboxamide?

The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(4-hydroxybutan-2-yl)-2H-indazole-3-carboxamide (CID 155193359) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(4-hydroxybutan-2-yl)-2H-indazole-3-carboxamide.

What is the SMILES notation for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(4-hydroxybutan-2-yl)-2H-indazole-3-carboxamide?

The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(4-hydroxybutan-2-yl)-2H-indazole-3-carboxamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NC(C)CCO)[nH]nc3c2F)c1F.

What is the InChIKey of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(4-hydroxybutan-2-yl)-2H-indazole-3-carboxamide?

The InChIKey is MEDBHWSIVNDSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N5O5S/c1-11(7-8-34)30-23(35)22-14-4-3-13(19(27)21(14)31-32-22)18-15(26)5-6-16(20(18)28)33-39(36,37)17-9-12(25)10-29-24(17)38-2/h3-6,9-11,33-34H,7-8H2,1-2H3,(H,30,35)(H,31,32).

What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(4-hydroxybutan-2-yl)-2H-indazole-3-carboxamide?

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(4-hydroxybutan-2-yl)-2H-indazole-3-carboxamide has a molecular weight of 583.98 g/mol, XLogP of 4.01, 9 rotatable bonds, 4 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]-7-fluoro-N-(4-hydroxybutan-2-yl)-2H-indazole-3-carboxamide is sourced from PubChem (CID 155193359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).