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

C24H21ClF3N5O4S — CID 155193721

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

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylpropyl)-2H-indazole-3-carboxamide (PubChem CID 155193721) has the molecular formula C24H21ClF3N5O4S and a molecular weight of 567.98 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylpropyl)-2H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylpropyl)-2H-indazole-3-carboxamide
• PubChem CID: 155193721
• Molecular Formula: C24H21ClF3N5O4S
• Molecular Weight: 567.98 g/mol
• Exact Mass: 567.10
• IUPAC Name: 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylpropyl)-2H-indazole-3-carboxamide
• SMILES: COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NCC(C)C)[nH]nc3c2F)c1F
• InChI: InChI=1S/C24H21ClF3N5O4S/c1-11(2)9-29-23(34)22-14-5-4-13(19(27)21(14)31-32-22)18-15(26)6-7-16(20(18)28)33-38(35,36)17-8-12(25)10-30-24(17)37-3/h4-8,10-11,33H,9H2,1-3H3,(H,29,34)(H,31,32)
• InChIKey: KYLOBSUOTRHMIM-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 126.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.98
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylpropyl)-2H-indazole-3-carboxamide (CID 155193721) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylpropyl)-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-(2-methylpropyl)-2H-indazole-3-carboxamide?

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

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

The InChIKey is KYLOBSUOTRHMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N5O4S/c1-11(2)9-29-23(34)22-14-5-4-13(19(27)21(14)31-32-22)18-15(26)6-7-16(20(18)28)33-38(35,36)17-8-12(25)10-30-24(17)37-3/h4-8,10-11,33H,9H2,1-3H3,(H,29,34)(H,31,32).

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

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-methylpropyl)-2H-indazole-3-carboxamide has a molecular weight of 567.98 g/mol, XLogP of 4.89, 8 rotatable bonds, 3 hydrogen bond donors, and 6 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-(2-methylpropyl)-2H-indazole-3-carboxamide is sourced from PubChem (CID 155193721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).