6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide

C20H13F4N5O3S — CID 167251453

IUPAC6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide
SMILESCc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(N)=O)[nH]nc3c2F)c1F
InChIInChI=1S/C20H13F4N5O3S/c1-8-14(6-9(21)7-26-8)33(31,32)29-13-5-4-12(22)15(17(13)24)10-2-3-11-18(16(10)23)27-28-19(11)20(25)30/h2-7,29H,1H3,(H2,25,30)(H,27,28)
InChIKeyGLGWHBDJVVJJTL-UHFFFAOYSA-N
MW479.42 g/mol
LogP3.39
Rot. Bonds5

About 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide

6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide (PubChem CID 167251453) has the molecular formula C20H13F4N5O3S and a molecular weight of 479.42 g/mol. Its IUPAC name is 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide
PubChem CID167251453
Molecular FormulaC20H13F4N5O3S
Molecular Weight479.42 g/mol
Exact Mass479.07
IUPAC Name6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide
SMILESCc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(N)=O)[nH]nc3c2F)c1F
InChIInChI=1S/C20H13F4N5O3S/c1-8-14(6-9(21)7-26-8)33(31,32)29-13-5-4-12(22)15(17(13)24)10-2-3-11-18(16(10)23)27-28-19(11)20(25)30/h2-7,29H,1H3,(H2,25,30)(H,27,28)
InChIKeyGLGWHBDJVVJJTL-UHFFFAOYSA-N
XLogP3.39
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.42
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167251058
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167250860
6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-piperidin-4-yl-2H-indazole-3-carboxamide
CID 167251073
6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2H-indazole-3-carboxamide
CID 167251230
6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
CID 167251195
6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167251218
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167250865
6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-N-(1,2-oxazol-4-yl)-2H-indazole-3-carboxamide
CID 167570292
6-[3-(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide
CID 155193724
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
5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-[(2-hydroxyethylamino)methyl]-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 167251027
6-[2,6-difluoro-3-(oxan-4-ylsulfonylamino)phenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide
CID 155193737

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide?
The IUPAC name of 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide (CID 167251453) is 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide.
What is the SMILES notation for 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide?
The canonical SMILES for 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide is Cc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(N)=O)[nH]nc3c2F)c1F.
What is the InChIKey of 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide?
The InChIKey is GLGWHBDJVVJJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O3S/c1-8-14(6-9(21)7-26-8)33(31,32)29-13-5-4-12(22)15(17(13)24)10-2-3-11-18(16(10)23)27-28-19(11)20(25)30/h2-7,29H,1H3,(H2,25,30)(H,27,28).
What are the key properties of 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide?
6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide has a molecular weight of 479.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide is sourced from PubChem (CID 167251453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).