1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide

C19H18F2N6O2S — CID 170969191

IUPAC1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCCC(F)(F)c1ccnc(-n2cc(S(=O)(=O)Nc3cccc4cnn(C)c34)cn2)c1
InChIInChI=1S/C19H18F2N6O2S/c1-3-19(20,21)14-7-8-22-17(9-14)27-12-15(11-24-27)30(28,29)25-16-6-4-5-13-10-23-26(2)18(13)16/h4-12,25H,3H2,1-2H3
InChIKeyUNLPNVZMQADHJG-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.46
Rot. Bonds6

About 1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide

1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide (PubChem CID 170969191) has the molecular formula C19H18F2N6O2S and a molecular weight of 432.46 g/mol. Its IUPAC name is 1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
PubChem CID170969191
Molecular FormulaC19H18F2N6O2S
Molecular Weight432.46 g/mol
Exact Mass432.12
IUPAC Name1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCCC(F)(F)c1ccnc(-n2cc(S(=O)(=O)Nc3cccc4cnn(C)c34)cn2)c1
InChIInChI=1S/C19H18F2N6O2S/c1-3-19(20,21)14-7-8-22-17(9-14)27-12-15(11-24-27)30(28,29)25-16-6-4-5-13-10-23-26(2)18(13)16/h4-12,25H,3H2,1-2H3
InChIKeyUNLPNVZMQADHJG-UHFFFAOYSA-N
XLogP3.46
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

Jak2/tyk2-IN-1
CID 155817516
6-(4-Tert-butylphenyl)sulfonyl-7-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
CID 62707362
1-cyclopentyl-N-[(2S)-1-[[1-(2-methoxypyrimidin-5-yl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 16665452
1-cyclopentyl-3,5-dimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]pyrazole-4-sulfonamide
CID 16665453
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 22390479
3-(4-Indazol-1-ylpyrimidin-2-ylamino)-benzenesulfonamide
CID 24959532
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 44430019
N-(3-(3-(9H-purin-6-yl)pyridin-2-ylamino)-2,4-difluorophenyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 57343972
US9156811, Ddd85624
CID 57393582
US9156811, Ddd73332
CID 57400517
N-((R)-1-(1-Ethyl-6-trifluoromethyl-1H-benzoimidazole-2-yl)ethyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 59177085
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propylpyrazole-4-sulfonamide
CID 59177115

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide (CID 170969191) is 1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide is CCC(F)(F)c1ccnc(-n2cc(S(=O)(=O)Nc3cccc4cnn(C)c34)cn2)c1.
What is the InChIKey of 1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The InChIKey is UNLPNVZMQADHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O2S/c1-3-19(20,21)14-7-8-22-17(9-14)27-12-15(11-24-27)30(28,29)25-16-6-4-5-13-10-23-26(2)18(13)16/h4-12,25H,3H2,1-2H3.
What are the key properties of 1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide has a molecular weight of 432.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 170969191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).