[3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl] cyclohexanecarboxylate

C25H23N3O2 — CID 175205886

IUPAC[3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl] cyclohexanecarboxylate
SMILESO=C(On1nc(-c2ccc(-c3ccccc3)cc2)c2cnccc21)C1CCCCC1
InChIInChI=1S/C25H23N3O2/c29-25(21-9-5-2-6-10-21)30-28-23-15-16-26-17-22(23)24(27-28)20-13-11-19(12-14-20)18-7-3-1-4-8-18/h1,3-4,7-8,11-17,21H,2,5-6,9-10H2
InChIKeyXAKWOVRAHJEQLX-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.30
Rot. Bonds4

About [3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl] cyclohexanecarboxylate

[3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl] cyclohexanecarboxylate (PubChem CID 175205886) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is [3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl] cyclohexanecarboxylate
PubChem CID175205886
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name[3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl] cyclohexanecarboxylate
SMILESO=C(On1nc(-c2ccc(-c3ccccc3)cc2)c2cnccc21)C1CCCCC1
InChIInChI=1S/C25H23N3O2/c29-25(21-9-5-2-6-10-21)30-28-23-15-16-26-17-22(23)24(27-28)20-13-11-19(12-14-20)18-7-3-1-4-8-18/h1,3-4,7-8,11-17,21H,2,5-6,9-10H2
InChIKeyXAKWOVRAHJEQLX-UHFFFAOYSA-N
XLogP5.30
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl] cyclohexanecarboxylate?
The IUPAC name of [3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl] cyclohexanecarboxylate (CID 175205886) is [3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl] cyclohexanecarboxylate.
What is the SMILES notation for [3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl] cyclohexanecarboxylate?
The canonical SMILES for [3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl] cyclohexanecarboxylate is O=C(On1nc(-c2ccc(-c3ccccc3)cc2)c2cnccc21)C1CCCCC1.
What is the InChIKey of [3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl] cyclohexanecarboxylate?
The InChIKey is XAKWOVRAHJEQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c29-25(21-9-5-2-6-10-21)30-28-23-15-16-26-17-22(23)24(27-28)20-13-11-19(12-14-20)18-7-3-1-4-8-18/h1,3-4,7-8,11-17,21H,2,5-6,9-10H2.
What are the key properties of [3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl] cyclohexanecarboxylate?
[3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl] cyclohexanecarboxylate has a molecular weight of 397.48 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl] cyclohexanecarboxylate is sourced from PubChem (CID 175205886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).