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

C29H29N5O4 — CID 135845849

IUPAC7-(4-ethoxyphenyl)-N,2-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc(-c4ccccc4OC)nn32)cc1
InChIInChI=1S/C29H29N5O4/c1-5-38-20-16-14-19(15-17-20)26-25(28(35)31-22-11-7-9-13-24(22)37-4)18(2)30-29-32-27(33-34(26)29)21-10-6-8-12-23(21)36-3/h6-17,26H,5H2,1-4H3,(H,31,35)(H,30,32,33)
InChIKeyYWSXITOIRIHJTR-UHFFFAOYSA-N
MW511.58 g/mol
LogP5.29
Rot. Bonds8

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

7-(4-ethoxyphenyl)-N,2-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135845849) has the molecular formula C29H29N5O4 and a molecular weight of 511.58 g/mol. Its IUPAC name is 7-(4-ethoxyphenyl)-N,2-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(4-ethoxyphenyl)-N,2-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135845849
Molecular FormulaC29H29N5O4
Molecular Weight511.58 g/mol
Exact Mass511.22
IUPAC Name7-(4-ethoxyphenyl)-N,2-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc(-c4ccccc4OC)nn32)cc1
InChIInChI=1S/C29H29N5O4/c1-5-38-20-16-14-19(15-17-20)26-25(28(35)31-22-11-7-9-13-24(22)37-4)18(2)30-29-32-27(33-34(26)29)21-10-6-8-12-23(21)36-3/h6-17,26H,5H2,1-4H3,(H,31,35)(H,30,32,33)
InChIKeyYWSXITOIRIHJTR-UHFFFAOYSA-N
XLogP5.29
TPSA99.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-(4-fluorophenyl)-N,2-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135723315
2-(4-ethoxyphenyl)-N,7-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135709951
2-butylsulfanyl-7-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135694077
N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135723266
7-(4-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135772500
7-(4-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135749428
(7S)-N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135935623
(4R)-4-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxamide
CID 92707290
N-(2-methoxyphenyl)-5-methyl-2,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135814716
N-(2-methoxyphenyl)-5-methyl-7-(4-phenylmethoxyphenyl)-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135839006
7-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-2-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135843331
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

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyphenyl)-N,2-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(4-ethoxyphenyl)-N,2-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135845849) is 7-(4-ethoxyphenyl)-N,2-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(4-ethoxyphenyl)-N,2-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(4-ethoxyphenyl)-N,2-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCOc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc(-c4ccccc4OC)nn32)cc1.
What is the InChIKey of 7-(4-ethoxyphenyl)-N,2-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YWSXITOIRIHJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O4/c1-5-38-20-16-14-19(15-17-20)26-25(28(35)31-22-11-7-9-13-24(22)37-4)18(2)30-29-32-27(33-34(26)29)21-10-6-8-12-23(21)36-3/h6-17,26H,5H2,1-4H3,(H,31,35)(H,30,32,33).
What are the key properties of 7-(4-ethoxyphenyl)-N,2-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(4-ethoxyphenyl)-N,2-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 511.58 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxyphenyl)-N,2-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135845849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).