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

C27H24FN5O2 — CID 135671754

IUPAC7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccc(C)c3)nn2C1c1ccc(F)cc1
InChIInChI=1S/C27H24FN5O2/c1-16-7-6-8-19(15-16)25-31-27-29-17(2)23(26(34)30-21-9-4-5-10-22(21)35-3)24(33(27)32-25)18-11-13-20(28)14-12-18/h4-15,24H,1-3H3,(H,30,34)(H,29,31,32)
InChIKeyVKIDRAHYKWIHBU-UHFFFAOYSA-N
MW469.52 g/mol
LogP5.33
Rot. Bonds5

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

7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135671754) has the molecular formula C27H24FN5O2 and a molecular weight of 469.52 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135671754
Molecular FormulaC27H24FN5O2
Molecular Weight469.52 g/mol
Exact Mass469.19
IUPAC Name7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccc(C)c3)nn2C1c1ccc(F)cc1
InChIInChI=1S/C27H24FN5O2/c1-16-7-6-8-19(15-16)25-31-27-29-17(2)23(26(34)30-21-9-4-5-10-22(21)35-3)24(33(27)32-25)18-11-13-20(28)14-12-18/h4-15,24H,1-3H3,(H,30,34)(H,29,31,32)
InChIKeyVKIDRAHYKWIHBU-UHFFFAOYSA-N
XLogP5.33
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.52
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135582078
7-(4-fluorophenyl)-N,2-bis(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135723315
N-(2-methoxyphenyl)-5-methyl-2,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135814716
(7S)-7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136712418
N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135723266
N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-7-(3-nitrophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135676870
N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135840555
7-(4-bromophenyl)-N-(2-methoxyphenyl)-5-methyl-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135676689
7-(4-cyanophenyl)-2-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135770010
7-(4-fluorophenyl)-2-(furan-2-yl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135932771
(7S)-N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135935623
2-(3-chlorophenyl)-N-(2-methoxyphenyl)-5-methyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135838947

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135671754) is 7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3cccc(C)c3)nn2C1c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is VKIDRAHYKWIHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O2/c1-16-7-6-8-19(15-16)25-31-27-29-17(2)23(26(34)30-21-9-4-5-10-22(21)35-3)24(33(27)32-25)18-11-13-20(28)14-12-18/h4-15,24H,1-3H3,(H,30,34)(H,29,31,32).
What are the key properties of 7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135671754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).