6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2H-indazole-3-carboxamide

C26H22ClF3N6O5S — CID 155193745

About 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2H-indazole-3-carboxamide

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2H-indazole-3-carboxamide (PubChem CID 155193745) has the molecular formula C26H22ClF3N6O5S and a molecular weight of 623.01 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2H-indazole-3-carboxamide
• PubChem CID: 155193745
• Molecular Formula: C26H22ClF3N6O5S
• Molecular Weight: 623.01 g/mol
• Exact Mass: 622.10
• IUPAC Name: 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2H-indazole-3-carboxamide
• SMILES: COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NCCN4CCCC4=O)[nH]nc3c2F)c1F
• InChI: InChI=1S/C26H22ClF3N6O5S/c1-41-26-18(11-13(27)12-32-26)42(39,40)35-17-7-6-16(28)20(22(17)30)14-4-5-15-23(21(14)29)33-34-24(15)25(38)31-8-10-36-9-2-3-19(36)37/h4-7,11-12,35H,2-3,8-10H2,1H3,(H,31,38)(H,33,34)
• InChIKey: QKPGDAYUEGYIJS-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 146.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	623.01
LogP ≤ 5	3.86
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]-7-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2H-indazole-3-carboxamide?

The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2H-indazole-3-carboxamide (CID 155193745) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-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-(2-oxopyrrolidin-1-yl)ethyl]-2H-indazole-3-carboxamide?

The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2H-indazole-3-carboxamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NCCN4CCCC4=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-(2-oxopyrrolidin-1-yl)ethyl]-2H-indazole-3-carboxamide?

The InChIKey is QKPGDAYUEGYIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF3N6O5S/c1-41-26-18(11-13(27)12-32-26)42(39,40)35-17-7-6-16(28)20(22(17)30)14-4-5-15-23(21(14)29)33-34-24(15)25(38)31-8-10-36-9-2-3-19(36)37/h4-7,11-12,35H,2-3,8-10H2,1H3,(H,31,38)(H,33,34).

What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2H-indazole-3-carboxamide?

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2H-indazole-3-carboxamide has a molecular weight of 623.01 g/mol, XLogP of 3.86, 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]-7-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2H-indazole-3-carboxamide is sourced from PubChem (CID 155193745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).