N-(2-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C25H22N6O2 — CID 2947203

IUPACN-(2-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2C1c1ccccn1
InChIInChI=1S/C25H22N6O2/c1-16-21(24(32)28-18-12-6-7-14-20(18)33-2)22(19-13-8-9-15-26-19)31-25(27-16)29-23(30-31)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H,28,32)(H,27,29,30)
InChIKeyDHBWJZALVDMLAJ-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.28
Rot. Bonds5

About N-(2-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-(2-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 2947203) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID2947203
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC NameN-(2-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2C1c1ccccn1
InChIInChI=1S/C25H22N6O2/c1-16-21(24(32)28-18-12-6-7-14-20(18)33-2)22(19-13-8-9-15-26-19)31-25(27-16)29-23(30-31)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H,28,32)(H,27,29,30)
InChIKeyDHBWJZALVDMLAJ-UHFFFAOYSA-N
XLogP4.28
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide 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-(2-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 2947203) is N-(2-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2C1c1ccccn1.
What is the InChIKey of N-(2-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is DHBWJZALVDMLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-16-21(24(32)28-18-12-6-7-14-20(18)33-2)22(19-13-8-9-15-26-19)31-25(27-16)29-23(30-31)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H,28,32)(H,27,29,30).
What are the key properties of N-(2-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2947203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).