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

C27H26N6O4 — CID 135437075

IUPAC7-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2nc3n(n2)C(c2ccc(OC)c(OC)c2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1
InChIInChI=1S/C27H26N6O4/c1-16-23(26(34)30-19-6-5-13-28-15-19)24(18-9-12-21(36-3)22(14-18)37-4)33-27(29-16)31-25(32-33)17-7-10-20(35-2)11-8-17/h5-15,24H,1-4H3,(H,30,34)(H,29,31,32)
InChIKeyYYEZYGOVLQWTFU-UHFFFAOYSA-N
MW498.54 g/mol
LogP4.29
Rot. Bonds7

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

7-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135437075) has the molecular formula C27H26N6O4 and a molecular weight of 498.54 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135437075
Molecular FormulaC27H26N6O4
Molecular Weight498.54 g/mol
Exact Mass498.20
IUPAC Name7-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(-c2nc3n(n2)C(c2ccc(OC)c(OC)c2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1
InChIInChI=1S/C27H26N6O4/c1-16-23(26(34)30-19-6-5-13-28-15-19)24(18-9-12-21(36-3)22(14-18)37-4)33-27(29-16)31-25(32-33)17-7-10-20(35-2)11-8-17/h5-15,24H,1-4H3,(H,30,34)(H,29,31,32)
InChIKeyYYEZYGOVLQWTFU-UHFFFAOYSA-N
XLogP4.29
TPSA112.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135437075) is 7-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(-c2nc3n(n2)C(c2ccc(OC)c(OC)c2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YYEZYGOVLQWTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O4/c1-16-23(26(34)30-19-6-5-13-28-15-19)24(18-9-12-21(36-3)22(14-18)37-4)33-27(29-16)31-25(32-33)17-7-10-20(35-2)11-8-17/h5-15,24H,1-4H3,(H,30,34)(H,29,31,32).
What are the key properties of 7-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 498.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135437075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).