2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine

C25H22N6 — CID 155522848

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESCc1n[nH]c(C)c1-c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C25H22N6/c1-16-22(17(2)31-30-16)25-28-21-13-8-12-20(18-9-4-3-5-10-18)23(21)24(29-25)27-15-19-11-6-7-14-26-19/h3-14H,15H2,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyNOSSHROGGWLSMC-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.31
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine

2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine (PubChem CID 155522848) has the molecular formula C25H22N6 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
PubChem CID155522848
Molecular FormulaC25H22N6
Molecular Weight406.49 g/mol
Exact Mass406.19
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESCc1n[nH]c(C)c1-c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C25H22N6/c1-16-22(17(2)31-30-16)25-28-21-13-8-12-20(18-9-4-3-5-10-18)23(21)24(29-25)27-15-19-11-6-7-14-26-19/h3-14H,15H2,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyNOSSHROGGWLSMC-UHFFFAOYSA-N
XLogP5.31
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-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 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine (CID 155522848) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine is Cc1n[nH]c(C)c1-c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The InChIKey is NOSSHROGGWLSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6/c1-16-22(17(2)31-30-16)25-28-21-13-8-12-20(18-9-4-3-5-10-18)23(21)24(29-25)27-15-19-11-6-7-14-26-19/h3-14H,15H2,1-2H3,(H,30,31)(H,27,28,29).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine has a molecular weight of 406.49 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 155522848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).