1-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide

C19H24FN5O3S — CID 164622205

IUPAC1-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1
InChIInChI=1S/C19H24FN5O3S/c1-29(27,28)24-9-5-16(6-10-24)22-19(26)23-8-7-18-14(13-23)12-21-25(18)17-4-2-3-15(20)11-17/h2-4,11-12,16H,5-10,13H2,1H3,(H,22,26)
InChIKeyKZVKOMRXRPIWRU-UHFFFAOYSA-N
MW421.50 g/mol
LogP1.50
Rot. Bonds3

About 1-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide

1-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide (PubChem CID 164622205) has the molecular formula C19H24FN5O3S and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
PubChem CID164622205
Molecular FormulaC19H24FN5O3S
Molecular Weight421.50 g/mol
Exact Mass421.16
IUPAC Name1-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
SMILESCS(=O)(=O)N1CCC(NC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1
InChIInChI=1S/C19H24FN5O3S/c1-29(27,28)24-9-5-16(6-10-24)22-19(26)23-8-7-18-14(13-23)12-21-25(18)17-4-2-3-15(20)11-17/h2-4,11-12,16H,5-10,13H2,1H3,(H,22,26)
InChIKeyKZVKOMRXRPIWRU-UHFFFAOYSA-N
XLogP1.50
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-(3-fluoro-4-pyridinyl)-2-methyl-N-[(1R)-1-pyrazolo[1,5-a]pyridin-4-ylethyl]piperazine-1-carboxamide
CID 155749655
tert-butyl 4-[[1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]amino]piperidine-1-carboxylate
CID 164612890
1-(3-fluorophenyl)-N-(1-methylsulfonylazetidin-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 164616441
3-(methanesulfonamido)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 47039313
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-N'-isopropylurea
CID 72838069
1-Methylsulfonyl-3-[[3-pyridin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]urea
CID 164615837
3-(4-fluorophenyl)-4-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 172460768
1-(4-fluorophenyl)-3-[(6S)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl]urea
CID 124888829
N-[(3-fluorophenyl)methyl]-1-(4-methylsulfonylphenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 132467136
1-Butyl-3-(2,4-difluorophenyl)-1-[1-[[1-[4-(methanesulfonamido)phenyl]-3,5-dimethylpyrazol-4-yl]methyl]piperidin-4-yl]urea
CID 10008556
3-[1-(3,5-Difluorophenyl)pyrazol-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10093146
3-(4-Fluorophenyl)-1-[1-[[1-[4-(methanesulfonamido)phenyl]-3,5-dimethylpyrazol-4-yl]methyl]piperidin-4-yl]-1-phenylurea
CID 11577908

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide (CID 164622205) is 1-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide is CS(=O)(=O)N1CCC(NC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
The InChIKey is KZVKOMRXRPIWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O3S/c1-29(27,28)24-9-5-16(6-10-24)22-19(26)23-8-7-18-14(13-23)12-21-25(18)17-4-2-3-15(20)11-17/h2-4,11-12,16H,5-10,13H2,1H3,(H,22,26).
What are the key properties of 1-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
1-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 164622205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).