1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C22H19FN4O4S — CID 59278142

IUPAC1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCOc1cc(S(C)(=O)=O)ccc1CNC(=O)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H19FN4O4S/c1-31-21-9-17(32(2,29)30)8-3-14(21)10-25-22(28)19-11-24-13-20-18(19)12-26-27(20)16-6-4-15(23)5-7-16/h3-9,11-13H,10H2,1-2H3,(H,25,28)
InChIKeyDNVBUJKMMRVVOX-UHFFFAOYSA-N
MW454.48 g/mol
LogP2.90
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278142) has the molecular formula C22H19FN4O4S and a molecular weight of 454.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278142
Molecular FormulaC22H19FN4O4S
Molecular Weight454.48 g/mol
Exact Mass454.11
IUPAC Name1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCOc1cc(S(C)(=O)=O)ccc1CNC(=O)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H19FN4O4S/c1-31-21-9-17(32(2,29)30)8-3-14(21)10-25-22(28)19-11-24-13-20-18(19)12-26-27(20)16-6-4-15(23)5-7-16/h3-9,11-13H,10H2,1-2H3,(H,25,28)
InChIKeyDNVBUJKMMRVVOX-UHFFFAOYSA-N
XLogP2.90
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278142) is 1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is COc1cc(S(C)(=O)=O)ccc1CNC(=O)c1cncc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is DNVBUJKMMRVVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O4S/c1-31-21-9-17(32(2,29)30)8-3-14(21)10-25-22(28)19-11-24-13-20-18(19)12-26-27(20)16-6-4-15(23)5-7-16/h3-9,11-13H,10H2,1-2H3,(H,25,28).
What are the key properties of 1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-methoxy-4-methylsulfonylphenyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).