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

C27H26N6O3 — CID 135573780

IUPAC7-(2-ethoxyphenyl)-2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccccc1C1C(C(=O)Nc2cccnc2)=C(C)Nc2nc(-c3cccc(OC)c3)nn21
InChIInChI=1S/C27H26N6O3/c1-4-36-22-13-6-5-12-21(22)24-23(26(34)30-19-10-8-14-28-16-19)17(2)29-27-31-25(32-33(24)27)18-9-7-11-20(15-18)35-3/h5-16,24H,4H2,1-3H3,(H,30,34)(H,29,31,32)
InChIKeyZDWFCWULRVYBKV-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.68
Rot. Bonds7

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

7-(2-ethoxyphenyl)-2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135573780) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is 7-(2-ethoxyphenyl)-2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(2-ethoxyphenyl)-2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135573780
Molecular FormulaC27H26N6O3
Molecular Weight482.54 g/mol
Exact Mass482.21
IUPAC Name7-(2-ethoxyphenyl)-2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccccc1C1C(C(=O)Nc2cccnc2)=C(C)Nc2nc(-c3cccc(OC)c3)nn21
InChIInChI=1S/C27H26N6O3/c1-4-36-22-13-6-5-12-21(22)24-23(26(34)30-19-10-8-14-28-16-19)17(2)29-27-31-25(32-33(24)27)18-9-7-11-20(15-18)35-3/h5-16,24H,4H2,1-3H3,(H,30,34)(H,29,31,32)
InChIKeyZDWFCWULRVYBKV-UHFFFAOYSA-N
XLogP4.68
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(2-ethoxyphenyl)-2-(3-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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Related Compounds

7-(2-ethoxyphenyl)-5-methyl-N,2-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135723352
2-(3-chlorophenyl)-7-(2-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135759392
2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135813601
2-[4-(dimethylamino)phenyl]-7-(2-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135768894
7-(2-methoxyphenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135581046
7-(2-ethoxyphenyl)-2-(3-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135739966
2-(4-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135838941
(7R)-7-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136755073
2-(4-chlorophenyl)-7-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135739918
7-(2-ethoxyphenyl)-5-methyl-2-(3-nitrophenyl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135670460
(7R)-7-(2-chlorophenyl)-2-(4-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135877485
7-(2,3-dimethoxyphenyl)-2-(3,4-dimethylphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135600749

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxyphenyl)-2-(3-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-(2-ethoxyphenyl)-2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135573780) is 7-(2-ethoxyphenyl)-2-(3-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-(2-ethoxyphenyl)-2-(3-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-(2-ethoxyphenyl)-2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCOc1ccccc1C1C(C(=O)Nc2cccnc2)=C(C)Nc2nc(-c3cccc(OC)c3)nn21.
What is the InChIKey of 7-(2-ethoxyphenyl)-2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ZDWFCWULRVYBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-4-36-22-13-6-5-12-21(22)24-23(26(34)30-19-10-8-14-28-16-19)17(2)29-27-31-25(32-33(24)27)18-9-7-11-20(15-18)35-3/h5-16,24H,4H2,1-3H3,(H,30,34)(H,29,31,32).
What are the key properties of 7-(2-ethoxyphenyl)-2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(2-ethoxyphenyl)-2-(3-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 482.54 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxyphenyl)-2-(3-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 135573780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).