4-fluoro-5-[[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C18H16F3N5O3S — CID 134562137

IUPAC4-fluoro-5-[[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(S(=O)(=O)NN3C[C@@H](F)C[C@@H]3c3cccc(F)c3)c(F)c12
InChIInChI=1S/C18H16F3N5O3S/c19-11-3-1-2-10(6-11)14-7-12(20)9-26(14)24-30(28,29)15-4-5-25-17(16(15)21)13(8-23-25)18(22)27/h1-6,8,12,14,24H,7,9H2,(H2,22,27)/t12-,14+/m0/s1
InChIKeyHDAFDYDBXUZHCV-GXTWGEPZSA-N
MW439.42 g/mol
LogP1.69
Rot. Bonds5

About 4-fluoro-5-[[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide

4-fluoro-5-[[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 134562137) has the molecular formula C18H16F3N5O3S and a molecular weight of 439.42 g/mol. Its IUPAC name is 4-fluoro-5-[[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-5-[[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID134562137
Molecular FormulaC18H16F3N5O3S
Molecular Weight439.42 g/mol
Exact Mass439.09
IUPAC Name4-fluoro-5-[[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(S(=O)(=O)NN3C[C@@H](F)C[C@@H]3c3cccc(F)c3)c(F)c12
InChIInChI=1S/C18H16F3N5O3S/c19-11-3-1-2-10(6-11)14-7-12(20)9-26(14)24-30(28,29)15-4-5-25-17(16(15)21)13(8-23-25)18(22)27/h1-6,8,12,14,24H,7,9H2,(H2,22,27)/t12-,14+/m0/s1
InChIKeyHDAFDYDBXUZHCV-GXTWGEPZSA-N
XLogP1.69
TPSA109.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazolyl benzenesulfonamide derivative, 7a
CID 57411990
(4R,6S)-4,6-diethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-7-one
CID 46891578
5-(4-fluorophenyl)-N,10-dimethyl-14-methylsulfonyl-3,4,14-triazatricyclo[7.5.0.03,7]tetradeca-1,4,6,8-tetraene-6-carboxamide
CID 68063058
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431497
N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431517
[3-methyl-4-[[7-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]sulfonyl]piperazin-1-yl]-phenylmethanone
CID 24748866
4-[3-(4-Fluorophenyl)-4-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide
CID 76318218
3-(4-Fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
CID 76332758
4-[[3-(Ethenylsulfonylamino)phenyl]methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 137647292
4-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937353
4-[[(3S,4S)-4-(fluoromethyl)-1-methylsulfonylpyrrolidin-3-yl]amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937390
(7S)-N-[(1-ethylsulfonylpyrazol-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 118282410

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 4-fluoro-5-[[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 134562137) is 4-fluoro-5-[[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 4-fluoro-5-[[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 4-fluoro-5-[[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide is NC(=O)c1cnn2ccc(S(=O)(=O)NN3C[C@@H](F)C[C@@H]3c3cccc(F)c3)c(F)c12.
What is the InChIKey of 4-fluoro-5-[[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is HDAFDYDBXUZHCV-GXTWGEPZSA-N. The full InChI is InChI=1S/C18H16F3N5O3S/c19-11-3-1-2-10(6-11)14-7-12(20)9-26(14)24-30(28,29)15-4-5-25-17(16(15)21)13(8-23-25)18(22)27/h1-6,8,12,14,24H,7,9H2,(H2,22,27)/t12-,14+/m0/s1.
What are the key properties of 4-fluoro-5-[[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
4-fluoro-5-[[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 439.42 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-[[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 134562137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).