1,3-dimethyl-N-(3-phenylphenyl)pyrazolo[5,4-b]pyridin-5-amine

C20H18N4 — CID 91371070

IUPAC1,3-dimethyl-N-(3-phenylphenyl)pyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(Nc3cccc(-c4ccccc4)c3)cc12
InChIInChI=1S/C20H18N4/c1-14-19-12-18(13-21-20(19)24(2)23-14)22-17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-13,22H,1-2H3
InChIKeyVOLZQPXQHKRJRZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.69
Rot. Bonds3

About 1,3-dimethyl-N-(3-phenylphenyl)pyrazolo[5,4-b]pyridin-5-amine

1,3-dimethyl-N-(3-phenylphenyl)pyrazolo[5,4-b]pyridin-5-amine (PubChem CID 91371070) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-(3-phenylphenyl)pyrazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(3-phenylphenyl)pyrazolo[5,4-b]pyridin-5-amine
PubChem CID91371070
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name1,3-dimethyl-N-(3-phenylphenyl)pyrazolo[5,4-b]pyridin-5-amine
SMILESCc1nn(C)c2ncc(Nc3cccc(-c4ccccc4)c3)cc12
InChIInChI=1S/C20H18N4/c1-14-19-12-18(13-21-20(19)24(2)23-14)22-17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-13,22H,1-2H3
InChIKeyVOLZQPXQHKRJRZ-UHFFFAOYSA-N
XLogP4.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethyl-N-(3-phenylphenyl)pyrazolo[5,4-b]pyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(3-phenylphenyl)pyrazolo[5,4-b]pyridin-5-amine?
The IUPAC name of 1,3-dimethyl-N-(3-phenylphenyl)pyrazolo[5,4-b]pyridin-5-amine (CID 91371070) is 1,3-dimethyl-N-(3-phenylphenyl)pyrazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-(3-phenylphenyl)pyrazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for 1,3-dimethyl-N-(3-phenylphenyl)pyrazolo[5,4-b]pyridin-5-amine is Cc1nn(C)c2ncc(Nc3cccc(-c4ccccc4)c3)cc12.
What is the InChIKey of 1,3-dimethyl-N-(3-phenylphenyl)pyrazolo[5,4-b]pyridin-5-amine?
The InChIKey is VOLZQPXQHKRJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-14-19-12-18(13-21-20(19)24(2)23-14)22-17-10-6-9-16(11-17)15-7-4-3-5-8-15/h3-13,22H,1-2H3.
What are the key properties of 1,3-dimethyl-N-(3-phenylphenyl)pyrazolo[5,4-b]pyridin-5-amine?
1,3-dimethyl-N-(3-phenylphenyl)pyrazolo[5,4-b]pyridin-5-amine has a molecular weight of 314.39 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(3-phenylphenyl)pyrazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 91371070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).