2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

C34H31F3N14O4 — CID 145341967

IUPAC2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCOc1cccc(COCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C17H14F3N9O.C17H17N5O3/c1-8-10(9(2)29-16(22-8)25-14(28-29)17(18,19)20)7-12(30)23-15-24-13(26-27-15)11-5-3-4-6-21-11;1-24-13-6-4-5-12(9-13)10-25-11-15(23)19-17-20-16(21-22-17)14-7-2-3-8-18-14/h3-6H,7H2,1-2H3,(H2,23,24,26,27,30);2-9H,10-11H2,1H3,(H2,19,20,21,22,23)
InChIKeyPIAXWYAPWDHGTF-UHFFFAOYSA-N
MW756.71 g/mol
LogP4.15
Rot. Bonds11

About 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 145341967) has the molecular formula C34H31F3N14O4 and a molecular weight of 756.71 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID145341967
Molecular FormulaC34H31F3N14O4
Molecular Weight756.71 g/mol
Exact Mass756.26
IUPAC Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCOc1cccc(COCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C17H14F3N9O.C17H17N5O3/c1-8-10(9(2)29-16(22-8)25-14(28-29)17(18,19)20)7-12(30)23-15-24-13(26-27-15)11-5-3-4-6-21-11;1-24-13-6-4-5-12(9-13)10-25-11-15(23)19-17-20-16(21-22-17)14-7-2-3-8-18-14/h3-6H,7H2,1-2H3,(H2,23,24,26,27,30);2-9H,10-11H2,1H3,(H2,19,20,21,22,23)
InChIKeyPIAXWYAPWDHGTF-UHFFFAOYSA-N
XLogP4.15
TPSA228.66 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.71
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 137142996
CID 137142996
CID 66789864
CID 66789864
CID 129301391
CID 129301391
CID 136937351
CID 136937351
CID 136937402
CID 136937402
CID 136937408
CID 136937408
CID 136937534
CID 136937534
CID 136937572
CID 136937572
CID 136937631
CID 136937631
CID 136937633
CID 136937633
CID 136937717
CID 136937717
CID 136944518
CID 136944518

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 145341967) is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is COc1cccc(COCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is PIAXWYAPWDHGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N9O.C17H17N5O3/c1-8-10(9(2)29-16(22-8)25-14(28-29)17(18,19)20)7-12(30)23-15-24-13(26-27-15)11-5-3-4-6-21-11;1-24-13-6-4-5-12(9-13)10-25-11-15(23)19-17-20-16(21-22-17)14-7-2-3-8-18-14/h3-6H,7H2,1-2H3,(H2,23,24,26,27,30);2-9H,10-11H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 756.71 g/mol, XLogP of 4.15, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-[(3-methoxyphenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 145341967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).