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

C22H17ClF3N5O4S — CID 177382767

IUPAC6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonyl-methylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide
SMILESCNC(=O)c1[nH]nc2c(F)c(-c3c(F)ccc(N(C)S(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc12
InChIInChI=1S/C22H17ClF3N5O4S/c1-27-21(32)20-12-5-4-11(17(25)19(12)29-30-20)16-13(24)6-7-14(18(16)26)31(2)36(33,34)15-8-10(23)9-28-22(15)35-3/h4-9H,1-3H3,(H,27,32)(H,29,30)
InChIKeyNYCULLQSLZYGMF-UHFFFAOYSA-N
MW539.92 g/mol
LogP3.89
Rot. Bonds6

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

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonyl-methylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide (PubChem CID 177382767) has the molecular formula C22H17ClF3N5O4S and a molecular weight of 539.92 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonyl-methylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonyl-methylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide
PubChem CID177382767
Molecular FormulaC22H17ClF3N5O4S
Molecular Weight539.92 g/mol
Exact Mass539.06
IUPAC Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonyl-methylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide
SMILESCNC(=O)c1[nH]nc2c(F)c(-c3c(F)ccc(N(C)S(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc12
InChIInChI=1S/C22H17ClF3N5O4S/c1-27-21(32)20-12-5-4-11(17(25)19(12)29-30-20)16-13(24)6-7-14(18(16)26)31(2)36(33,34)15-8-10(23)9-28-22(15)35-3/h4-9H,1-3H3,(H,27,32)(H,29,30)
InChIKeyNYCULLQSLZYGMF-UHFFFAOYSA-N
XLogP3.89
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.92
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonyl-methylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonyl-methylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide?
The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonyl-methylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide (CID 177382767) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonyl-methylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide.
What is the SMILES notation for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonyl-methylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide?
The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonyl-methylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide is CNC(=O)c1[nH]nc2c(F)c(-c3c(F)ccc(N(C)S(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc12.
What is the InChIKey of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonyl-methylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide?
The InChIKey is NYCULLQSLZYGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N5O4S/c1-27-21(32)20-12-5-4-11(17(25)19(12)29-30-20)16-13(24)6-7-14(18(16)26)31(2)36(33,34)15-8-10(23)9-28-22(15)35-3/h4-9H,1-3H3,(H,27,32)(H,29,30).
What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonyl-methylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide?
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonyl-methylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide has a molecular weight of 539.92 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 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)sulfonyl-methylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide is sourced from PubChem (CID 177382767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).