5-methyl-2-(3-methylphenyl)-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C24H21N7O — CID 135579942

IUPAC5-methyl-2-(3-methylphenyl)-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)C(c2ccccn2)n2nc(-c3cccc(C)c3)nc2N1
InChIInChI=1S/C24H21N7O/c1-15-7-5-8-17(13-15)22-29-24-27-16(2)20(23(32)28-18-9-6-11-25-14-18)21(31(24)30-22)19-10-3-4-12-26-19/h3-14,21H,1-2H3,(H,28,32)(H,27,29,30)
InChIKeyAPQXDBAWPWWYAF-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.97
Rot. Bonds4

About 5-methyl-2-(3-methylphenyl)-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-2-(3-methylphenyl)-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135579942) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is 5-methyl-2-(3-methylphenyl)-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-2-(3-methylphenyl)-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135579942
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name5-methyl-2-(3-methylphenyl)-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)C(c2ccccn2)n2nc(-c3cccc(C)c3)nc2N1
InChIInChI=1S/C24H21N7O/c1-15-7-5-8-17(13-15)22-29-24-27-16(2)20(23(32)28-18-9-6-11-25-14-18)21(31(24)30-22)19-10-3-4-12-26-19/h3-14,21H,1-2H3,(H,28,32)(H,27,29,30)
InChIKeyAPQXDBAWPWWYAF-UHFFFAOYSA-N
XLogP3.97
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethylphenyl)-5-methyl-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135592118
5-methyl-2-(3-methylphenyl)-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135594306
7-(2-chlorophenyl)-5-methyl-2-(3-methylphenyl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135610305
5-methyl-2-(3-methylphenyl)-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135575450
2-(3-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135573788
5-methyl-2-(4-methylphenyl)-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135709910
2-(3-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135676844
7-(2-fluorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135799768
5-methyl-2-phenyl-7-pyridin-1-ium-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4165307
5-methyl-7-phenyl-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135548896
2-(3-hydroxyphenyl)-5-methyl-N-phenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135799716
5-methyl-N,2-diphenyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4116212

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylphenyl)-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-2-(3-methylphenyl)-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135579942) is 5-methyl-2-(3-methylphenyl)-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-2-(3-methylphenyl)-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-2-(3-methylphenyl)-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2cccnc2)C(c2ccccn2)n2nc(-c3cccc(C)c3)nc2N1.
What is the InChIKey of 5-methyl-2-(3-methylphenyl)-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is APQXDBAWPWWYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-15-7-5-8-17(13-15)22-29-24-27-16(2)20(23(32)28-18-9-6-11-25-14-18)21(31(24)30-22)19-10-3-4-12-26-19/h3-14,21H,1-2H3,(H,28,32)(H,27,29,30).
What are the key properties of 5-methyl-2-(3-methylphenyl)-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-2-(3-methylphenyl)-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylphenyl)-7-pyridin-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135579942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).