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

C21H21FN4O3S — CID 53066677

IUPAC5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C21H21FN4O3S/c1-25-19-11-12-26(30(28,29)17-5-3-2-4-6-17)14-18(19)20(24-25)21(27)23-13-15-7-9-16(22)10-8-15/h2-10H,11-14H2,1H3,(H,23,27)
InChIKeyOSWIRNSRLSLSQO-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.24
Rot. Bonds5

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

5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066677) has the molecular formula C21H21FN4O3S and a molecular weight of 428.49 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53066677
Molecular FormulaC21H21FN4O3S
Molecular Weight428.49 g/mol
Exact Mass428.13
IUPAC Name5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C21H21FN4O3S/c1-25-19-11-12-26(30(28,29)17-5-3-2-4-6-17)14-18(19)20(24-25)21(27)23-13-15-7-9-16(22)10-8-15/h2-10H,11-14H2,1H3,(H,23,27)
InChIKeyOSWIRNSRLSLSQO-UHFFFAOYSA-N
XLogP2.24
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(3-methylphenyl)methyl]-5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066644
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066637
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066718
1-methyl-N-[(3-methylphenyl)methyl]-5-(4-propan-2-ylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066660
N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389004
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(4-propylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066697
5-(4-fluorophenyl)sulfonyl-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50832722
4-fluoro-N-[[5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-phenylbenzamide
CID 53019244
N-[(4-chlorophenyl)methyl]-1-methyl-5-(2-phenylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066501
N-benzyl-1-methyl-5-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45162521
N-benzyl-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26223552
5-(benzenesulfonyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50832764

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066677) is 5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(S(=O)(=O)c1ccccc1)C2.
What is the InChIKey of 5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is OSWIRNSRLSLSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3S/c1-25-19-11-12-26(30(28,29)17-5-3-2-4-6-17)14-18(19)20(24-25)21(27)23-13-15-7-9-16(22)10-8-15/h2-10H,11-14H2,1H3,(H,23,27).
What are the key properties of 5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).