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

C25H20Cl2N6O2 — CID 135779268

IUPAC2-(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
SMILESCOc1ccc(C2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccc(Cl)c(Cl)c4)nn32)cc1
InChIInChI=1S/C25H20Cl2N6O2/c1-14-21(24(34)30-17-4-3-11-28-13-17)22(15-5-8-18(35-2)9-6-15)33-25(29-14)31-23(32-33)16-7-10-19(26)20(27)12-16/h3-13,22H,1-2H3,(H,30,34)(H,29,31,32)
InChIKeyFEMCOCHOHNJRBJ-UHFFFAOYSA-N
MW507.38 g/mol
LogP5.58
Rot. Bonds5

About 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

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 (PubChem CID 135779268) has the molecular formula C25H20Cl2N6O2 and a molecular weight of 507.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID135779268
Molecular FormulaC25H20Cl2N6O2
Molecular Weight507.38 g/mol
Exact Mass506.10
IUPAC Name2-(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
SMILESCOc1ccc(C2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccc(Cl)c(Cl)c4)nn32)cc1
InChIInChI=1S/C25H20Cl2N6O2/c1-14-21(24(34)30-17-4-3-11-28-13-17)22(15-5-8-18(35-2)9-6-15)33-25(29-14)31-23(32-33)16-7-10-19(26)20(27)12-16/h3-13,22H,1-2H3,(H,30,34)(H,29,31,32)
InChIKeyFEMCOCHOHNJRBJ-UHFFFAOYSA-N
XLogP5.58
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.38
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

2-(3,4-dichlorophenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135593068
2-(3,4-dichlorophenyl)-7-(3-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135723323
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
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
(7R)-2-(3,4-dimethoxyphenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136883040
2-(3,4-dimethylphenyl)-7-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135838907
(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
7-(4-chlorophenyl)-2-(4-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135548894
2-(4-chlorophenyl)-7-(4-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135843183
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-(3-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135676844
(7S)-2-(3,4-dimethoxyphenyl)-5-methyl-N,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136761744

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(C2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccc(Cl)c(Cl)c4)nn32)cc1.
What is the InChIKey of 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?
The InChIKey is FEMCOCHOHNJRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N6O2/c1-14-21(24(34)30-17-4-3-11-28-13-17)22(15-5-8-18(35-2)9-6-15)33-25(29-14)31-23(32-33)16-7-10-19(26)20(27)12-16/h3-13,22H,1-2H3,(H,30,34)(H,29,31,32).
What are the key properties of 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?
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 has a molecular weight of 507.38 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135779268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).