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

C27H26N6O3 — CID 135768971

IUPAC2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccc(-c2nc3n(n2)C(c2ccc(OC)cc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1
InChIInChI=1S/C27H26N6O3/c1-4-36-22-13-9-19(10-14-22)25-31-27-29-17(2)23(26(34)30-20-6-5-15-28-16-20)24(33(27)32-25)18-7-11-21(35-3)12-8-18/h5-16,24H,4H2,1-3H3,(H,30,34)(H,29,31,32)
InChIKeyQUQCCVLZLRHYMW-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.68
Rot. Bonds7

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

2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135768971) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135768971
Molecular FormulaC27H26N6O3
Molecular Weight482.54 g/mol
Exact Mass482.21
IUPAC Name2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccc(-c2nc3n(n2)C(c2ccc(OC)cc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1
InChIInChI=1S/C27H26N6O3/c1-4-36-22-13-9-19(10-14-22)25-31-27-29-17(2)23(26(34)30-20-6-5-15-28-16-20)24(33(27)32-25)18-7-11-21(35-3)12-8-18/h5-16,24H,4H2,1-3H3,(H,30,34)(H,29,31,32)
InChIKeyQUQCCVLZLRHYMW-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 2-(4-ethoxyphenyl)-7-(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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Related Compounds

7-(4-ethoxyphenyl)-5-methyl-2-(4-methylphenyl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135553777
7-(4-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135553779
2-(4-ethoxyphenyl)-7-(3-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135692887
7-(4-cyanophenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135677972
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-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
5-methyl-2-(4-methylphenyl)-7-(4-phenylmethoxyphenyl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135594237
2-(3,4-dichlorophenyl)-7-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135779268
2,7-bis(4-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135575348
2-(4-ethoxyphenyl)-7-(4-hydroxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135759302
7-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135618856
(7S)-7-(3-hydroxyphenyl)-2-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136761742

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-7-(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 2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135768971) is 2-(4-ethoxyphenyl)-7-(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 2-(4-ethoxyphenyl)-7-(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 2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCOc1ccc(-c2nc3n(n2)C(c2ccc(OC)cc2)C(C(=O)Nc2cccnc2)=C(C)N3)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is QUQCCVLZLRHYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-4-36-22-13-9-19(10-14-22)25-31-27-29-17(2)23(26(34)30-20-6-5-15-28-16-20)24(33(27)32-25)18-7-11-21(35-3)12-8-18/h5-16,24H,4H2,1-3H3,(H,30,34)(H,29,31,32).
What are the key properties of 2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
2-(4-ethoxyphenyl)-7-(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 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 2-(4-ethoxyphenyl)-7-(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 135768971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).