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

C24H22N6O3S — CID 135819286

IUPAC7-(2,5-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(OC)c(C2C(C(=O)Nc3ccccn3)=C(C)Nc3nc(-c4cccs4)nn32)c1
InChIInChI=1S/C24H22N6O3S/c1-14-20(23(31)27-19-8-4-5-11-25-19)21(16-13-15(32-2)9-10-17(16)33-3)30-24(26-14)28-22(29-30)18-7-6-12-34-18/h4-13,21H,1-3H3,(H,25,27,31)(H,26,28,29)
InChIKeyZVOMDWKIVDAXGL-UHFFFAOYSA-N
MW474.55 g/mol
LogP4.35
Rot. Bonds6

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

7-(2,5-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135819286) has the molecular formula C24H22N6O3S and a molecular weight of 474.55 g/mol. Its IUPAC name is 7-(2,5-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(2,5-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135819286
Molecular FormulaC24H22N6O3S
Molecular Weight474.55 g/mol
Exact Mass474.15
IUPAC Name7-(2,5-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(OC)c(C2C(C(=O)Nc3ccccn3)=C(C)Nc3nc(-c4cccs4)nn32)c1
InChIInChI=1S/C24H22N6O3S/c1-14-20(23(31)27-19-8-4-5-11-25-19)21(16-13-15(32-2)9-10-17(16)33-3)30-24(26-14)28-22(29-30)18-7-6-12-34-18/h4-13,21H,1-3H3,(H,25,27,31)(H,26,28,29)
InChIKeyZVOMDWKIVDAXGL-UHFFFAOYSA-N
XLogP4.35
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-(2,5-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

(7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1187710
7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135814358
7-(3-methoxy-4-phenylmethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135709993
7-(4-chlorophenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135768945
(7R)-N-(2-methoxyphenyl)-5-methyl-7-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136814016
7-(2,4-dimethoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3400039
(7S)-7-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 992484
7-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135609151
N-(2-methoxyphenyl)-7-(3-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135754144
(7R)-7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135935611
7-(4-ethoxy-3-methoxyphenyl)-5-methyl-N-phenyl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135720847
7-(2,5-dimethoxyphenyl)-5-methyl-N-phenyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135778570

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(2,5-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135819286) is 7-(2,5-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(2,5-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(2,5-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(OC)c(C2C(C(=O)Nc3ccccn3)=C(C)Nc3nc(-c4cccs4)nn32)c1.
What is the InChIKey of 7-(2,5-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ZVOMDWKIVDAXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3S/c1-14-20(23(31)27-19-8-4-5-11-25-19)21(16-13-15(32-2)9-10-17(16)33-3)30-24(26-14)28-22(29-30)18-7-6-12-34-18/h4-13,21H,1-3H3,(H,25,27,31)(H,26,28,29).
What are the key properties of 7-(2,5-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(2,5-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 474.55 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135819286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).