N,N-diethyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C23H27FN4O3S — CID 139392000

IUPACN,N-diethyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc12
InChIInChI=1S/C23H27FN4O3S/c1-3-26(4-2)23(29)21-16-25-28-14-11-18(15-22(21)28)17-9-12-27(13-10-17)32(30,31)20-7-5-19(24)6-8-20/h5-8,11,14-17H,3-4,9-10,12-13H2,1-2H3
InChIKeyFXTKRESVHZTTRR-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.52
Rot. Bonds6

About N,N-diethyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N,N-diethyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 139392000) has the molecular formula C23H27FN4O3S and a molecular weight of 458.56 g/mol. Its IUPAC name is N,N-diethyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID139392000
Molecular FormulaC23H27FN4O3S
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC NameN,N-diethyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc12
InChIInChI=1S/C23H27FN4O3S/c1-3-26(4-2)23(29)21-16-25-28-14-11-18(15-22(21)28)17-9-12-27(13-10-17)32(30,31)20-7-5-19(24)6-8-20/h5-8,11,14-17H,3-4,9-10,12-13H2,1-2H3
InChIKeyFXTKRESVHZTTRR-UHFFFAOYSA-N
XLogP3.52
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(4aR)-6-(3,5-difluorophenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone
CID 72547740
[(4aR)-6-(3,4-difluorophenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone
CID 72547975
[(4aR)-1-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-pyridin-3-ylmethanone
CID 72548209
[(4aR)-6-(3,4-difluorophenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-(4-methyl-2-pyridinyl)methanone
CID 72548214
[(4aR)-6-(3,5-difluorophenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-(4-methyl-2-pyridinyl)methanone
CID 72548216
(R)-(1-(4-fluorophenyl)-6-((4-fluorophenyl)sulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinolin-4a-yl)(pyridin-2-yl)methanone
CID 72548922
[(4aR)-1-(4-fluorophenyl)-6-(2-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone
CID 72548925
[(4aR)-1-(4-fluorophenyl)-6-(3-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone
CID 72549154
[(4aR)-1-(4-fluorophenyl)-6-(4-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone
CID 72549624
[(4aR)-1-(4-fluorophenyl)-6-(3-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-(5-methyl-2-pyridinyl)methanone
CID 73051162
[(4aR)-1-(4-fluorophenyl)-6-(3-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-(4-methyl-2-pyridinyl)methanone
CID 73051163
[(4aR)-1-(4-fluorophenyl)-6-(3-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-(6-methyl-2-pyridinyl)methanone
CID 73051309

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 139392000) is N,N-diethyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CCN(CC)C(=O)c1cnn2ccc(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc12.
What is the InChIKey of N,N-diethyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is FXTKRESVHZTTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3S/c1-3-26(4-2)23(29)21-16-25-28-14-11-18(15-22(21)28)17-9-12-27(13-10-17)32(30,31)20-7-5-19(24)6-8-20/h5-8,11,14-17H,3-4,9-10,12-13H2,1-2H3.
What are the key properties of N,N-diethyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N,N-diethyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 139392000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).