N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methyl-4-pyridin-3-ylpyrazol-3-yl)pyridin-2-amine

C24H22N8 — CID 54584596

IUPACN-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methyl-4-pyridin-3-ylpyrazol-3-yl)pyridin-2-amine
SMILESCc1nc(C)n(-c2ccc(Nc3cc(-c4nn(C)cc4-c4cccnc4)ccn3)cc2)n1
InChIInChI=1S/C24H22N8/c1-16-27-17(2)32(29-16)21-8-6-20(7-9-21)28-23-13-18(10-12-26-23)24-22(15-31(3)30-24)19-5-4-11-25-14-19/h4-15H,1-3H3,(H,26,28)
InChIKeyYJGITIRYIUMDSV-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.49
Rot. Bonds5

About N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methyl-4-pyridin-3-ylpyrazol-3-yl)pyridin-2-amine

N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methyl-4-pyridin-3-ylpyrazol-3-yl)pyridin-2-amine (PubChem CID 54584596) has the molecular formula C24H22N8 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methyl-4-pyridin-3-ylpyrazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methyl-4-pyridin-3-ylpyrazol-3-yl)pyridin-2-amine
PubChem CID54584596
Molecular FormulaC24H22N8
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC NameN-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methyl-4-pyridin-3-ylpyrazol-3-yl)pyridin-2-amine
SMILESCc1nc(C)n(-c2ccc(Nc3cc(-c4nn(C)cc4-c4cccnc4)ccn3)cc2)n1
InChIInChI=1S/C24H22N8/c1-16-27-17(2)32(29-16)21-8-6-20(7-9-21)28-23-13-18(10-12-26-23)24-22(15-31(3)30-24)19-5-4-11-25-14-19/h4-15H,1-3H3,(H,26,28)
InChIKeyYJGITIRYIUMDSV-UHFFFAOYSA-N
XLogP4.49
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methyl-4-pyridin-3-ylpyrazol-3-yl)pyridin-2-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 N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methyl-4-pyridin-3-ylpyrazol-3-yl)pyridin-2-amine?
The IUPAC name of N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methyl-4-pyridin-3-ylpyrazol-3-yl)pyridin-2-amine (CID 54584596) is N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methyl-4-pyridin-3-ylpyrazol-3-yl)pyridin-2-amine.
What is the SMILES notation for N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methyl-4-pyridin-3-ylpyrazol-3-yl)pyridin-2-amine?
The canonical SMILES for N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methyl-4-pyridin-3-ylpyrazol-3-yl)pyridin-2-amine is Cc1nc(C)n(-c2ccc(Nc3cc(-c4nn(C)cc4-c4cccnc4)ccn3)cc2)n1.
What is the InChIKey of N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methyl-4-pyridin-3-ylpyrazol-3-yl)pyridin-2-amine?
The InChIKey is YJGITIRYIUMDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8/c1-16-27-17(2)32(29-16)21-8-6-20(7-9-21)28-23-13-18(10-12-26-23)24-22(15-31(3)30-24)19-5-4-11-25-14-19/h4-15H,1-3H3,(H,26,28).
What are the key properties of N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methyl-4-pyridin-3-ylpyrazol-3-yl)pyridin-2-amine?
N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methyl-4-pyridin-3-ylpyrazol-3-yl)pyridin-2-amine has a molecular weight of 422.50 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(1-methyl-4-pyridin-3-ylpyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 54584596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).