7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C28H24N6O3 — CID 135666174

IUPAC7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cc(OC)cc(-c2nc3n(n2)C(c2ccc(C#N)cc2)C(C(=O)Nc2ccccc2)=C(C)N3)c1
InChIInChI=1S/C28H24N6O3/c1-17-24(27(35)31-21-7-5-4-6-8-21)25(19-11-9-18(16-29)10-12-19)34-28(30-17)32-26(33-34)20-13-22(36-2)15-23(14-20)37-3/h4-15,25H,1-3H3,(H,31,35)(H,30,32,33)
InChIKeySKLVAAZNUNUXMA-UHFFFAOYSA-N
MW492.54 g/mol
LogP4.76
Rot. Bonds6

About 7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135666174) has the molecular formula C28H24N6O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is 7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135666174
Molecular FormulaC28H24N6O3
Molecular Weight492.54 g/mol
Exact Mass492.19
IUPAC Name7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cc(OC)cc(-c2nc3n(n2)C(c2ccc(C#N)cc2)C(C(=O)Nc2ccccc2)=C(C)N3)c1
InChIInChI=1S/C28H24N6O3/c1-17-24(27(35)31-21-7-5-4-6-8-21)25(19-11-9-18(16-29)10-12-19)34-28(30-17)32-26(33-34)20-13-22(36-2)15-23(14-20)37-3/h4-15,25H,1-3H3,(H,31,35)(H,30,32,33)
InChIKeySKLVAAZNUNUXMA-UHFFFAOYSA-N
XLogP4.76
TPSA114.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-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

Related Compounds

2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135594326
7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135723411
7-(4-cyanophenyl)-5-methyl-2-(2-methylphenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135676780
7-(4-cyanophenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135677972
2-(3,5-dimethoxyphenyl)-7-(2-methoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135761040
2-(3,5-dimethoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135815494
7-(4-cyanophenyl)-2-(3,4-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135768885
5-methyl-N,2,7-triphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4683261
2-(furan-2-yl)-7-(4-methoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135556494
(7S)-N-(4-methoxyphenyl)-5-methyl-2-phenyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 992435
7-(4-cyanophenyl)-2-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135770010
2-(4-methoxyphenyl)-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135584309

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135666174) is 7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1cc(OC)cc(-c2nc3n(n2)C(c2ccc(C#N)cc2)C(C(=O)Nc2ccccc2)=C(C)N3)c1.
What is the InChIKey of 7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SKLVAAZNUNUXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O3/c1-17-24(27(35)31-21-7-5-4-6-8-21)25(19-11-9-18(16-29)10-12-19)34-28(30-17)32-26(33-34)20-13-22(36-2)15-23(14-20)37-3/h4-15,25H,1-3H3,(H,31,35)(H,30,32,33).
What are the key properties of 7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 492.54 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135666174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).