5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C23H27FN4O3S — CID 59233690

IUPAC5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(c1cn2nc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1C1CCCC1)S(C)(=O)=O
InChIInChI=1S/C23H27FN4O3S/c1-4-28(32(3,30)31)20-14-27-19(13-18(20)15-7-5-6-8-15)21(23(29)25-2)22(26-27)16-9-11-17(24)12-10-16/h9-15H,4-8H2,1-3H3,(H,25,29)
InChIKeyALWXYKZCBYRORW-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.94
Rot. Bonds6

About 5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 59233690) has the molecular formula C23H27FN4O3S and a molecular weight of 458.56 g/mol. Its IUPAC name is 5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID59233690
Molecular FormulaC23H27FN4O3S
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC Name5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(c1cn2nc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1C1CCCC1)S(C)(=O)=O
InChIInChI=1S/C23H27FN4O3S/c1-4-28(32(3,30)31)20-14-27-19(13-18(20)15-7-5-6-8-15)21(23(29)25-2)22(26-27)16-9-11-17(24)12-10-16/h9-15H,4-8H2,1-3H3,(H,25,29)
InChIKeyALWXYKZCBYRORW-UHFFFAOYSA-N
XLogP3.94
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 59233693
6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 46842508
N-[5-cyclopropyl-2-(4-fluorophenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-2,2-dimethylpropanamide
CID 59233799
5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[4-(4-fluoroanilino)phenyl]-N-methylindazole-3-carboxamide
CID 56962929
5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-hydroxyethyl(methylsulfonyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 91527321
2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 90333589
5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]-1-benzofuran-3-carboxamide
CID 44514422
N-methyl-5-(4-methylphenyl)-15-methylsulfonyl-3,4,15-triazatricyclo[7.6.0.03,7]pentadeca-1,4,6,8-tetraene-6-carboxamide
CID 121274354
2-(4-fluorophenyl)-5-(3-formylphenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 88906215
N,10-dimethyl-14-methylsulfonyl-5-(4-phenoxyphenyl)-3,4,14-triazatricyclo[7.5.0.03,7]tetradeca-1,4,6,8-tetraene-6-carboxamide
CID 69190926
5-cyclopropyl-2-(4-fluorophenyl)-6-[[(Z)-2-(methoxymethyl)but-2-enyl]-methylsulfonylamino]-N-methyl-1-benzofuran-3-carboxamide
CID 67717185
[4-[[[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-methylsulfonylamino]methyl]-2-methoxyphenyl]boronic acid
CID 53372828

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 59233690) is 5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CCN(c1cn2nc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1C1CCCC1)S(C)(=O)=O.
What is the InChIKey of 5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ALWXYKZCBYRORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3S/c1-4-28(32(3,30)31)20-14-27-19(13-18(20)15-7-5-6-8-15)21(23(29)25-2)22(26-27)16-9-11-17(24)12-10-16/h9-15H,4-8H2,1-3H3,(H,25,29).
What are the key properties of 5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 59233690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).