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

C24H18ClF3N6O5S — CID 155193716

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

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-oxopyrrolidin-3-yl)-2H-indazole-3-carboxamide (PubChem CID 155193716) has the molecular formula C24H18ClF3N6O5S and a molecular weight of 594.96 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-oxopyrrolidin-3-yl)-2H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-oxopyrrolidin-3-yl)-2H-indazole-3-carboxamide
• PubChem CID: 155193716
• Molecular Formula: C24H18ClF3N6O5S
• Molecular Weight: 594.96 g/mol
• Exact Mass: 594.07
• IUPAC Name: 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-oxopyrrolidin-3-yl)-2H-indazole-3-carboxamide
• SMILES: COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NC4CCNC4=O)[nH]nc3c2F)c1F
• InChI: InChI=1S/C24H18ClF3N6O5S/c1-39-24-16(8-10(25)9-30-24)40(37,38)34-14-5-4-13(26)17(19(14)28)11-2-3-12-20(18(11)27)32-33-21(12)23(36)31-15-6-7-29-22(15)35/h2-5,8-9,15,34H,6-7H2,1H3,(H,29,35)(H,31,36)(H,32,33)
• InChIKey: VBRNHEFEMQDKCV-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 155.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	594.96
LogP ≤ 5	3.12
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-(2-oxopyrrolidin-3-yl)-2H-indazole-3-carboxamide?

The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-oxopyrrolidin-3-yl)-2H-indazole-3-carboxamide (CID 155193716) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-oxopyrrolidin-3-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-(2-oxopyrrolidin-3-yl)-2H-indazole-3-carboxamide?

The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-oxopyrrolidin-3-yl)-2H-indazole-3-carboxamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NC4CCNC4=O)[nH]nc3c2F)c1F.

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

The InChIKey is VBRNHEFEMQDKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N6O5S/c1-39-24-16(8-10(25)9-30-24)40(37,38)34-14-5-4-13(26)17(19(14)28)11-2-3-12-20(18(11)27)32-33-21(12)23(36)31-15-6-7-29-22(15)35/h2-5,8-9,15,34H,6-7H2,1H3,(H,29,35)(H,31,36)(H,32,33).

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

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-(2-oxopyrrolidin-3-yl)-2H-indazole-3-carboxamide has a molecular weight of 594.96 g/mol, XLogP of 3.12, 7 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-(2-oxopyrrolidin-3-yl)-2H-indazole-3-carboxamide is sourced from PubChem (CID 155193716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).