5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-hydroxyethyl(methylsulfonyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C21H23FN4O4S — CID 91527321

IUPAC5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-hydroxyethyl(methylsulfonyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCS(=O)(=O)N(CCO)Cc1cn2nc(-c3ccc(F)cc3)c(C(N)=O)c2cc1C1CC1
InChIInChI=1S/C21H23FN4O4S/c1-31(29,30)25(8-9-27)11-15-12-26-18(10-17(15)13-2-3-13)19(21(23)28)20(24-26)14-4-6-16(22)7-5-14/h4-7,10,12-13,27H,2-3,8-9,11H2,1H3,(H2,23,28)
InChIKeyNFJFACKWSDZKRN-UHFFFAOYSA-N
MW446.50 g/mol
LogP1.87
Rot. Bonds8

About 5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-hydroxyethyl(methylsulfonyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-hydroxyethyl(methylsulfonyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 91527321) has the molecular formula C21H23FN4O4S and a molecular weight of 446.50 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-hydroxyethyl(methylsulfonyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-hydroxyethyl(methylsulfonyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID91527321
Molecular FormulaC21H23FN4O4S
Molecular Weight446.50 g/mol
Exact Mass446.14
IUPAC Name5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-hydroxyethyl(methylsulfonyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCS(=O)(=O)N(CCO)Cc1cn2nc(-c3ccc(F)cc3)c(C(N)=O)c2cc1C1CC1
InChIInChI=1S/C21H23FN4O4S/c1-31(29,30)25(8-9-27)11-15-12-26-18(10-17(15)13-2-3-13)19(21(23)28)20(24-26)14-4-6-16(22)7-5-14/h4-7,10,12-13,27H,2-3,8-9,11H2,1H3,(H2,23,28)
InChIKeyNFJFACKWSDZKRN-UHFFFAOYSA-N
XLogP1.87
TPSA118.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 59233690
2-(4-fluorophenyl)-5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 91004037
N-[5-cyclopropyl-2-(4-fluorophenyl)-3-propanoylpyrazolo[1,5-a]pyridin-6-yl]-2,2-dimethylpropanamide
CID 59233799
2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]-5-phenylmethoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 90333589
6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide
CID 123825132
methyl 2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-5-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 59233739
[5-chloro-6-fluoro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine-3-carbonyl]-methylcarbamic acid
CID 123952022
1-cyclopropyl-4,5-diethyl-2-(4-fluorophenyl)benzene
CID 129143320
5-ethyl-2-(4-fluorophenyl)-6-[[2-(7-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethyl-methylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide
CID 123295458
3-[6-[cyclopropylmethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-3-formylpyrazolo[1,5-a]pyridin-5-yl]-N-(2-phenylpropan-2-yl)benzamide
CID 88906172
(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
CID 11501715

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-hydroxyethyl(methylsulfonyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-hydroxyethyl(methylsulfonyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 91527321) is 5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-hydroxyethyl(methylsulfonyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-hydroxyethyl(methylsulfonyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-hydroxyethyl(methylsulfonyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CS(=O)(=O)N(CCO)Cc1cn2nc(-c3ccc(F)cc3)c(C(N)=O)c2cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-hydroxyethyl(methylsulfonyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is NFJFACKWSDZKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O4S/c1-31(29,30)25(8-9-27)11-15-12-26-18(10-17(15)13-2-3-13)19(21(23)28)20(24-26)14-4-6-16(22)7-5-14/h4-7,10,12-13,27H,2-3,8-9,11H2,1H3,(H2,23,28).
What are the key properties of 5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-hydroxyethyl(methylsulfonyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-hydroxyethyl(methylsulfonyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4-fluorophenyl)-6-[[2-hydroxyethyl(methylsulfonyl)amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 91527321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).