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

C27H24ClN5O2 — CID 135847500

IUPAC7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccccc3C)nn2C1c1ccccc1Cl
InChIInChI=1S/C27H24ClN5O2/c1-16-10-4-5-11-18(16)25-31-27-29-17(2)23(26(34)30-21-14-8-9-15-22(21)35-3)24(33(27)32-25)19-12-6-7-13-20(19)28/h4-15,24H,1-3H3,(H,30,34)(H,29,31,32)
InChIKeyMUIWZOJIYHYMIO-UHFFFAOYSA-N
MW485.98 g/mol
LogP5.84
Rot. Bonds5

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

7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135847500) has the molecular formula C27H24ClN5O2 and a molecular weight of 485.98 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135847500
Molecular FormulaC27H24ClN5O2
Molecular Weight485.98 g/mol
Exact Mass485.16
IUPAC Name7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccccc3C)nn2C1c1ccccc1Cl
InChIInChI=1S/C27H24ClN5O2/c1-16-10-4-5-11-18(16)25-31-27-29-17(2)23(26(34)30-21-14-8-9-15-22(21)35-3)24(33(27)32-25)19-12-6-7-13-20(19)28/h4-15,24H,1-3H3,(H,30,34)(H,29,31,32)
InChIKeyMUIWZOJIYHYMIO-UHFFFAOYSA-N
XLogP5.84
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.98
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,7-bis(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135847509
7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135824832
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
2-(2-chlorophenyl)-7-(2,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135736838
(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-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-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-methylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135419092
7-(2,3-dichlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135759306
2-(4-chlorophenyl)-7-(2,3-dichlorophenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135768864
7-(2-chlorophenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135823219
(7R)-7-(2-chlorophenyl)-2-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136883033
(7S)-2-(2-chlorophenyl)-7-(3-hydroxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135933045

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135847500) is 7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccccc3C)nn2C1c1ccccc1Cl.
What is the InChIKey of 7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is MUIWZOJIYHYMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN5O2/c1-16-10-4-5-11-18(16)25-31-27-29-17(2)23(26(34)30-21-14-8-9-15-22(21)35-3)24(33(27)32-25)19-12-6-7-13-20(19)28/h4-15,24H,1-3H3,(H,30,34)(H,29,31,32).
What are the key properties of 7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 485.98 g/mol, XLogP of 5.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135847500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).