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

C21H20ClFN4O3S — CID 53006112

IUPACN-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(Cl)cc2)c2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C21H20ClFN4O3S/c1-26-19-10-11-27(31(29,30)17-8-6-16(23)7-9-17)13-18(19)20(25-26)21(28)24-12-14-2-4-15(22)5-3-14/h2-9H,10-13H2,1H3,(H,24,28)
InChIKeyFKQMBKHNSOTCHX-UHFFFAOYSA-N
MW462.93 g/mol
LogP2.89
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53006112) has the molecular formula C21H20ClFN4O3S and a molecular weight of 462.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53006112
Molecular FormulaC21H20ClFN4O3S
Molecular Weight462.93 g/mol
Exact Mass462.09
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(Cl)cc2)c2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C21H20ClFN4O3S/c1-26-19-10-11-27(31(29,30)17-8-6-16(23)7-9-17)13-18(19)20(25-26)21(28)24-12-14-2-4-15(22)5-3-14/h2-9H,10-13H2,1H3,(H,24,28)
InChIKeyFKQMBKHNSOTCHX-UHFFFAOYSA-N
XLogP2.89
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53006112) is N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2ccc(Cl)cc2)c2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is FKQMBKHNSOTCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O3S/c1-26-19-10-11-27(31(29,30)17-8-6-16(23)7-9-17)13-18(19)20(25-26)21(28)24-12-14-2-4-15(22)5-3-14/h2-9H,10-13H2,1H3,(H,24,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 462.93 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53006112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).