1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C26H25FN4O4S — CID 58222746

IUPAC1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)C2CCC(O)CC2)cc1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C26H25FN4O4S/c27-18-3-5-19(6-4-18)31-25-16-28-14-24(23(25)15-30-31)26(33)29-13-17-1-9-21(10-2-17)36(34,35)22-11-7-20(32)8-12-22/h1-6,9-10,14-16,20,22,32H,7-8,11-13H2,(H,29,33)
InChIKeyJNUCYPUZGYVONN-UHFFFAOYSA-N
MW508.58 g/mol
LogP3.57
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 58222746) has the molecular formula C26H25FN4O4S and a molecular weight of 508.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID58222746
Molecular FormulaC26H25FN4O4S
Molecular Weight508.58 g/mol
Exact Mass508.16
IUPAC Name1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)C2CCC(O)CC2)cc1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C26H25FN4O4S/c27-18-3-5-19(6-4-18)31-25-16-28-14-24(23(25)15-30-31)26(33)29-13-17-1-9-21(10-2-17)36(34,35)22-11-7-20(32)8-12-22/h1-6,9-10,14-16,20,22,32H,7-8,11-13H2,(H,29,33)
InChIKeyJNUCYPUZGYVONN-UHFFFAOYSA-N
XLogP3.57
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.58
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 58222746) is 1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is O=C(NCc1ccc(S(=O)(=O)C2CCC(O)CC2)cc1)c1cncc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is JNUCYPUZGYVONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O4S/c27-18-3-5-19(6-4-18)31-25-16-28-14-24(23(25)15-30-31)26(33)29-13-17-1-9-21(10-2-17)36(34,35)22-11-7-20(32)8-12-22/h1-6,9-10,14-16,20,22,32H,7-8,11-13H2,(H,29,33).
What are the key properties of 1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 508.58 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[4-(4-hydroxycyclohexyl)sulfonylphenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 58222746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).