4-[3-(4-benzamidophenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid

C26H24N4O3 — CID 130248888

IUPAC4-[3-(4-benzamidophenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(-c2nn(C3CCC(C(=O)O)CC3)c3ccncc23)cc1)c1ccccc1
InChIInChI=1S/C26H24N4O3/c31-25(18-4-2-1-3-5-18)28-20-10-6-17(7-11-20)24-22-16-27-15-14-23(22)30(29-24)21-12-8-19(9-13-21)26(32)33/h1-7,10-11,14-16,19,21H,8-9,12-13H2,(H,28,31)(H,32,33)
InChIKeyPOONEVBKDCETSH-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.17
Rot. Bonds5

About 4-[3-(4-benzamidophenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid

4-[3-(4-benzamidophenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 130248888) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-[3-(4-benzamidophenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(4-benzamidophenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid
PubChem CID130248888
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name4-[3-(4-benzamidophenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(-c2nn(C3CCC(C(=O)O)CC3)c3ccncc23)cc1)c1ccccc1
InChIInChI=1S/C26H24N4O3/c31-25(18-4-2-1-3-5-18)28-20-10-6-17(7-11-20)24-22-16-27-15-14-23(22)30(29-24)21-12-8-19(9-13-21)26(32)33/h1-7,10-11,14-16,19,21H,8-9,12-13H2,(H,28,31)(H,32,33)
InChIKeyPOONEVBKDCETSH-UHFFFAOYSA-N
XLogP5.17
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-benzamidophenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-(4-benzamidophenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid (CID 130248888) is 4-[3-(4-benzamidophenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-(4-benzamidophenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-(4-benzamidophenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid is O=C(Nc1ccc(-c2nn(C3CCC(C(=O)O)CC3)c3ccncc23)cc1)c1ccccc1.
What is the InChIKey of 4-[3-(4-benzamidophenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is POONEVBKDCETSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-25(18-4-2-1-3-5-18)28-20-10-6-17(7-11-20)24-22-16-27-15-14-23(22)30(29-24)21-12-8-19(9-13-21)26(32)33/h1-7,10-11,14-16,19,21H,8-9,12-13H2,(H,28,31)(H,32,33).
What are the key properties of 4-[3-(4-benzamidophenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid?
4-[3-(4-benzamidophenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 440.50 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-benzamidophenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 130248888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).