1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-3-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

C21H22FN5O3S — CID 123138949

IUPAC1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-3-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cncc(CCNC(=O)N2CCCc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C21H22FN5O3S/c1-31(29,30)18-11-15(12-23-13-18)8-9-24-21(28)26-10-2-3-19-20(26)14-25-27(19)17-6-4-16(22)5-7-17/h4-7,11-14H,2-3,8-10H2,1H3,(H,24,28)
InChIKeyCRWYHYYUDMSGTM-UHFFFAOYSA-N
MW443.50 g/mol
LogP2.51
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-3-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-3-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (PubChem CID 123138949) has the molecular formula C21H22FN5O3S and a molecular weight of 443.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-3-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-3-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
PubChem CID123138949
Molecular FormulaC21H22FN5O3S
Molecular Weight443.50 g/mol
Exact Mass443.14
IUPAC Name1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-3-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cncc(CCNC(=O)N2CCCc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C21H22FN5O3S/c1-31(29,30)18-11-15(12-23-13-18)8-9-24-21(28)26-10-2-3-19-20(26)14-25-27(19)17-6-4-16(22)5-7-17/h4-7,11-14H,2-3,8-10H2,1H3,(H,24,28)
InChIKeyCRWYHYYUDMSGTM-UHFFFAOYSA-N
XLogP2.51
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
CID 76524908
N-[(1S)-1-(2-fluoro-5-methylsulfonylphenyl)butyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-1-(5-methylsulfonyl-3-pyridinyl)butyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]-5,6,7,8-tetrahydropyrazolo[4,5-b]azepine-4-carboxamide;1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
CID 159589905
2-[2-chloro-4-(trifluoromethyl)phenyl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone
CID 73336016
2-chloro-1-(1-phenyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)ethanone
CID 166431919
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-3-methylbutan-1-one
CID 73335540
2-(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 158236959
1-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16618890
2-(4-chloro-3-iodo-5-methylpyrazol-1-yl)acetic acid;2-(4-chloro-3-iodo-5-methylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;2-(4-chloro-5-methyl-3-methylsulfonylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 158812608
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108902217
(E)-2-[5-ethenyl-1-(4-fluorophenyl)pyrazol-4-yl]-N-[(5-ethylsulfonyl-3-pyridinyl)methyl]but-2-enamide;propane
CID 143965496
1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 31900966
N-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide
CID 126839710

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-3-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-3-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (CID 123138949) is 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-3-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-3-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-3-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is CS(=O)(=O)c1cncc(CCNC(=O)N2CCCc3c2cnn3-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-3-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The InChIKey is CRWYHYYUDMSGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3S/c1-31(29,30)18-11-15(12-23-13-18)8-9-24-21(28)26-10-2-3-19-20(26)14-25-27(19)17-6-4-16(22)5-7-17/h4-7,11-14H,2-3,8-10H2,1H3,(H,24,28).
What are the key properties of 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-3-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-3-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-3-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is sourced from PubChem (CID 123138949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).