1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C24H23FN6O4S — CID 59278129

IUPAC1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)NC2CCOCC2)nc1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C24H23FN6O4S/c25-17-2-4-19(5-3-17)31-22-15-26-13-21(20(22)14-29-31)24(32)28-12-16-1-6-23(27-11-16)36(33,34)30-18-7-9-35-10-8-18/h1-6,11,13-15,18,30H,7-10,12H2,(H,28,32)
InChIKeyQYCWNARBDQFCDE-UHFFFAOYSA-N
MW510.55 g/mol
LogP2.34
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278129) has the molecular formula C24H23FN6O4S and a molecular weight of 510.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278129
Molecular FormulaC24H23FN6O4S
Molecular Weight510.55 g/mol
Exact Mass510.15
IUPAC Name1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)NC2CCOCC2)nc1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C24H23FN6O4S/c25-17-2-4-19(5-3-17)31-22-15-26-13-21(20(22)14-29-31)24(32)28-12-16-1-6-23(27-11-16)36(33,34)30-18-7-9-35-10-8-18/h1-6,11,13-15,18,30H,7-10,12H2,(H,28,32)
InChIKeyQYCWNARBDQFCDE-UHFFFAOYSA-N
XLogP2.34
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278129) is 1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is O=C(NCc1ccc(S(=O)(=O)NC2CCOCC2)nc1)c1cncc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is QYCWNARBDQFCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O4S/c25-17-2-4-19(5-3-17)31-22-15-26-13-21(20(22)14-29-31)24(32)28-12-16-1-6-23(27-11-16)36(33,34)30-18-7-9-35-10-8-18/h1-6,11,13-15,18,30H,7-10,12H2,(H,28,32).
What are the key properties of 1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 510.55 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[6-(oxan-4-ylsulfamoyl)-3-pyridinyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).