6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N,4-dimethyl-2H-indazole-3-carboxamide

C22H17ClF3N5O4S — CID 155193342

IUPAC6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N,4-dimethyl-2H-indazole-3-carboxamide
SMILESCNC(=O)c1[nH]nc2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)cc(C)c12
InChIInChI=1S/C22H17ClF3N5O4S/c1-9-6-11(17(25)19-15(9)20(30-29-19)21(32)27-2)16-12(24)4-5-13(18(16)26)31-36(33,34)14-7-10(23)8-28-22(14)35-3/h4-8,31H,1-3H3,(H,27,32)(H,29,30)
InChIKeyCZKCFDGOJBWSBG-UHFFFAOYSA-N
MW539.92 g/mol
LogP4.17
Rot. Bonds6

About 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N,4-dimethyl-2H-indazole-3-carboxamide

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N,4-dimethyl-2H-indazole-3-carboxamide (PubChem CID 155193342) 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)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N,4-dimethyl-2H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N,4-dimethyl-2H-indazole-3-carboxamide
PubChem CID155193342
Molecular FormulaC22H17ClF3N5O4S
Molecular Weight539.92 g/mol
Exact Mass539.06
IUPAC Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N,4-dimethyl-2H-indazole-3-carboxamide
SMILESCNC(=O)c1[nH]nc2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)cc(C)c12
InChIInChI=1S/C22H17ClF3N5O4S/c1-9-6-11(17(25)19-15(9)20(30-29-19)21(32)27-2)16-12(24)4-5-13(18(16)26)31-36(33,34)14-7-10(23)8-28-22(14)35-3/h4-8,31H,1-3H3,(H,27,32)(H,29,30)
InChIKeyCZKCFDGOJBWSBG-UHFFFAOYSA-N
XLogP4.17
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.92
LogP ≤ 54.17
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,4-dimethyl-2H-indazole-3-carboxamide?
The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N,4-dimethyl-2H-indazole-3-carboxamide (CID 155193342) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N,4-dimethyl-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,4-dimethyl-2H-indazole-3-carboxamide?
The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N,4-dimethyl-2H-indazole-3-carboxamide is CNC(=O)c1[nH]nc2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)cc(C)c12.
What is the InChIKey of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N,4-dimethyl-2H-indazole-3-carboxamide?
The InChIKey is CZKCFDGOJBWSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N5O4S/c1-9-6-11(17(25)19-15(9)20(30-29-19)21(32)27-2)16-12(24)4-5-13(18(16)26)31-36(33,34)14-7-10(23)8-28-22(14)35-3/h4-8,31H,1-3H3,(H,27,32)(H,29,30).
What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N,4-dimethyl-2H-indazole-3-carboxamide?
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-N,4-dimethyl-2H-indazole-3-carboxamide has a molecular weight of 539.92 g/mol, XLogP of 4.17, 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,4-dimethyl-2H-indazole-3-carboxamide is sourced from PubChem (CID 155193342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).