N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C22H18F3N7O2S — CID 166048217

IUPACN-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F
InChIInChI=1S/C22H18F3N7O2S/c1-10-21(11(2)32(3)30-10)35(33,34)31-15-7-6-14(23)16(18(15)25)12-4-5-13-19(17(12)24)28-29-20(13)22-26-8-9-27-22/h4-9,31H,1-3H3,(H,26,27)(H,28,29)
InChIKeyKFLQRCGMKMHKBJ-UHFFFAOYSA-N
MW501.49 g/mol
LogP4.19
Rot. Bonds5

About N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 166048217) has the molecular formula C22H18F3N7O2S and a molecular weight of 501.49 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID166048217
Molecular FormulaC22H18F3N7O2S
Molecular Weight501.49 g/mol
Exact Mass501.12
IUPAC NameN-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F
InChIInChI=1S/C22H18F3N7O2S/c1-10-21(11(2)32(3)30-10)35(33,34)31-15-7-6-14(23)16(18(15)25)12-4-5-13-19(17(12)24)28-29-20(13)22-26-8-9-27-22/h4-9,31H,1-3H3,(H,26,27)(H,28,29)
InChIKeyKFLQRCGMKMHKBJ-UHFFFAOYSA-N
XLogP4.19
TPSA121.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.49
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2,6-difluorobenzenesulfonamide
CID 166048166
2-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]pyridine-3-sulfonamide
CID 166048138
2,3-dichloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide
CID 166048171
N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-3-propan-2-ylbenzenesulfonamide
CID 166048120
2-cyano-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]benzenesulfonamide
CID 166048190
N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-pyrazolo[4,3-c]pyridin-6-yl]phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 155193320
5-chloro-N-[2-fluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 155206667
6-[2-[(5-chloro-2-methyl-3-pyridinyl)sulfonylmethyl]-3,5-difluoro-4-pyridinyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole
CID 167702475
5-chloro-N-[3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]-2-methylphenyl]-2-methoxypyridine-3-sulfonamide
CID 166048215
6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole
CID 167680017
6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167251453
N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773457

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 166048217) is N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F.
What is the InChIKey of N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is KFLQRCGMKMHKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N7O2S/c1-10-21(11(2)32(3)30-10)35(33,34)31-15-7-6-14(23)16(18(15)25)12-4-5-13-19(17(12)24)28-29-20(13)22-26-8-9-27-22/h4-9,31H,1-3H3,(H,26,27)(H,28,29).
What are the key properties of N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 501.49 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 166048217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).