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

C27H24Cl2N6O4 — CID 135798795

IUPAC2-(2,4-dichlorophenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cc(OC)c(C2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccc(Cl)cc4Cl)nn32)cc1OC
InChIInChI=1S/C27H24Cl2N6O4/c1-14-23(26(36)32-16-6-5-9-30-13-16)24(18-11-21(38-3)22(39-4)12-20(18)37-2)35-27(31-14)33-25(34-35)17-8-7-15(28)10-19(17)29/h5-13,24H,1-4H3,(H,32,36)(H,31,33,34)
InChIKeyMXTHXXKYOHSHRL-UHFFFAOYSA-N
MW567.43 g/mol
LogP5.60
Rot. Bonds7

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

2-(2,4-dichlorophenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135798795) has the molecular formula C27H24Cl2N6O4 and a molecular weight of 567.43 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135798795
Molecular FormulaC27H24Cl2N6O4
Molecular Weight567.43 g/mol
Exact Mass566.12
IUPAC Name2-(2,4-dichlorophenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1cc(OC)c(C2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccc(Cl)cc4Cl)nn32)cc1OC
InChIInChI=1S/C27H24Cl2N6O4/c1-14-23(26(36)32-16-6-5-9-30-13-16)24(18-11-21(38-3)22(39-4)12-20(18)37-2)35-27(31-14)33-25(34-35)17-8-7-15(28)10-19(17)29/h5-13,24H,1-4H3,(H,32,36)(H,31,33,34)
InChIKeyMXTHXXKYOHSHRL-UHFFFAOYSA-N
XLogP5.60
TPSA112.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.43
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(2,4-dichlorophenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

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
(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
2-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135573862
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
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
2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135796025
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
(7R)-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 1192317
2-(2,4-dichlorophenyl)-5-methyl-N,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135765772
(7R)-2-(2-methoxyphenyl)-5-methyl-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136755077
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-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 135798795) is 2-(2,4-dichlorophenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1cc(OC)c(C2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccc(Cl)cc4Cl)nn32)cc1OC.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is MXTHXXKYOHSHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2N6O4/c1-14-23(26(36)32-16-6-5-9-30-13-16)24(18-11-21(38-3)22(39-4)12-20(18)37-2)35-27(31-14)33-25(34-35)17-8-7-15(28)10-19(17)29/h5-13,24H,1-4H3,(H,32,36)(H,31,33,34).
What are the key properties of 2-(2,4-dichlorophenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
2-(2,4-dichlorophenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 567.43 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135798795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).