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

C24H17Cl2FN6O — CID 135584353

IUPAC7-(2,3-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2cccc(Cl)c2Cl)n2nc(-c3ccc(F)cc3)nc2N1
InChIInChI=1S/C24H17Cl2FN6O/c1-13-19(23(34)30-18-7-2-3-12-28-18)21(16-5-4-6-17(25)20(16)26)33-24(29-13)31-22(32-33)14-8-10-15(27)11-9-14/h2-12,21H,1H3,(H,28,30,34)(H,29,31,32)
InChIKeyUCZSLJPMQAEYBO-UHFFFAOYSA-N
MW495.35 g/mol
LogP5.71
Rot. Bonds4

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

7-(2,3-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135584353) has the molecular formula C24H17Cl2FN6O and a molecular weight of 495.35 g/mol. Its IUPAC name is 7-(2,3-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(2,3-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135584353
Molecular FormulaC24H17Cl2FN6O
Molecular Weight495.35 g/mol
Exact Mass494.08
IUPAC Name7-(2,3-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2cccc(Cl)c2Cl)n2nc(-c3ccc(F)cc3)nc2N1
InChIInChI=1S/C24H17Cl2FN6O/c1-13-19(23(34)30-18-7-2-3-12-28-18)21(16-5-4-6-17(25)20(16)26)33-24(29-13)31-22(32-33)14-8-10-15(27)11-9-14/h2-12,21H,1H3,(H,28,30,34)(H,29,31,32)
InChIKeyUCZSLJPMQAEYBO-UHFFFAOYSA-N
XLogP5.71
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.35
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-chlorophenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135813536
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-(2,3-dichlorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135759306
7-(3,4-dichlorophenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135838937
(7R)-7-(2-chlorophenyl)-2-(4-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181608
(7S)-7-(2,5-dimethoxyphenyl)-5-methyl-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1187710
2-(4-chlorophenyl)-7-(2,3-dimethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135584312
7-(2,3-dimethoxyphenyl)-5-methyl-N-pyridin-2-yl-2-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135814358
5-methyl-N-pyridin-2-yl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135765651
7-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135591989
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
5-methyl-7-(3-nitrophenyl)-2-phenyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135698051

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(2,3-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135584353) is 7-(2,3-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(2,3-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(2,3-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccn2)C(c2cccc(Cl)c2Cl)n2nc(-c3ccc(F)cc3)nc2N1.
What is the InChIKey of 7-(2,3-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UCZSLJPMQAEYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN6O/c1-13-19(23(34)30-18-7-2-3-12-28-18)21(16-5-4-6-17(25)20(16)26)33-24(29-13)31-22(32-33)14-8-10-15(27)11-9-14/h2-12,21H,1H3,(H,28,30,34)(H,29,31,32).
What are the key properties of 7-(2,3-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(2,3-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 495.35 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dichlorophenyl)-2-(4-fluorophenyl)-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135584353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).