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

C21H15ClF3N5O4S — CID 155194193

IUPAC6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide
SMILESCNC(=O)c1[nH]nc2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc12
InChIInChI=1S/C21H15ClF3N5O4S/c1-26-20(31)19-11-4-3-10(16(24)18(11)28-29-19)15-12(23)5-6-13(17(15)25)30-35(32,33)14-7-9(22)8-27-21(14)34-2/h3-8,30H,1-2H3,(H,26,31)(H,28,29)
InChIKeyCRHWVPRLEYXURW-UHFFFAOYSA-N
MW525.90 g/mol
LogP3.86
Rot. Bonds6

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

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide (PubChem CID 155194193) has the molecular formula C21H15ClF3N5O4S and a molecular weight of 525.90 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide
PubChem CID155194193
Molecular FormulaC21H15ClF3N5O4S
Molecular Weight525.90 g/mol
Exact Mass525.05
IUPAC Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide
SMILESCNC(=O)c1[nH]nc2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc12
InChIInChI=1S/C21H15ClF3N5O4S/c1-26-20(31)19-11-4-3-10(16(24)18(11)28-29-19)15-12(23)5-6-13(17(15)25)30-35(32,33)14-7-9(22)8-27-21(14)34-2/h3-8,30H,1-2H3,(H,26,31)(H,28,29)
InChIKeyCRHWVPRLEYXURW-UHFFFAOYSA-N
XLogP3.86
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.90
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide?
The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide (CID 155194193) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-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)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide?
The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide is CNC(=O)c1[nH]nc2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc12.
What is the InChIKey of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide?
The InChIKey is CRHWVPRLEYXURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5O4S/c1-26-20(31)19-11-4-3-10(16(24)18(11)28-29-19)15-12(23)5-6-13(17(15)25)30-35(32,33)14-7-9(22)8-27-21(14)34-2/h3-8,30H,1-2H3,(H,26,31)(H,28,29).
What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide?
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide has a molecular weight of 525.90 g/mol, XLogP of 3.86, 6 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-methyl-2H-indazole-3-carboxamide is sourced from PubChem (CID 155194193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).