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

C27H25ClN6O4 — CID 135796025

IUPAC2-(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
SMILESCOc1cc(C2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccccc4Cl)nn32)cc(OC)c1OC
InChIInChI=1S/C27H25ClN6O4/c1-15-22(26(35)31-17-8-7-11-29-14-17)23(16-12-20(36-2)24(38-4)21(13-16)37-3)34-27(30-15)32-25(33-34)18-9-5-6-10-19(18)28/h5-14,23H,1-4H3,(H,31,35)(H,30,32,33)
InChIKeyGVHGOYGAKDCCIR-UHFFFAOYSA-N
MW532.99 g/mol
LogP4.95
Rot. Bonds7

About 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

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 (PubChem CID 135796025) has the molecular formula C27H25ClN6O4 and a molecular weight of 532.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID135796025
Molecular FormulaC27H25ClN6O4
Molecular Weight532.99 g/mol
Exact Mass532.16
IUPAC Name2-(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
SMILESCOc1cc(C2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccccc4Cl)nn32)cc(OC)c1OC
InChIInChI=1S/C27H25ClN6O4/c1-15-22(26(35)31-17-8-7-11-29-14-17)23(16-12-20(36-2)24(38-4)21(13-16)37-3)34-27(30-15)32-25(33-34)18-9-5-6-10-19(18)28/h5-14,23H,1-4H3,(H,31,35)(H,30,32,33)
InChIKeyGVHGOYGAKDCCIR-UHFFFAOYSA-N
XLogP4.95
TPSA112.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.99
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(7S)-5-methyl-7-phenyl-N-pyridin-3-yl-2-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136761746
(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
(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
5-methyl-2-(2-methylphenyl)-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135823016
(7R)-2-(2-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 992504
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
(7S)-2-[(2-fluorophenyl)methylsulfanyl]-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 136719780
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
5-methyl-2-(4-methylphenyl)-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135814703
(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
2-(4-methoxyphenyl)-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135584309
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(C2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccccc4Cl)nn32)cc(OC)c1OC.
What is the InChIKey of 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?
The InChIKey is GVHGOYGAKDCCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN6O4/c1-15-22(26(35)31-17-8-7-11-29-14-17)23(16-12-20(36-2)24(38-4)21(13-16)37-3)34-27(30-15)32-25(33-34)18-9-5-6-10-19(18)28/h5-14,23H,1-4H3,(H,31,35)(H,30,32,33).
What are the key properties of 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?
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 has a molecular weight of 532.99 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135796025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).