1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide

C26H28N6O — CID 3227365

IUPAC1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCCN(c3cc(-c4ccccc4)nc4ncnn34)C2)c(C)c1
InChIInChI=1S/C26H28N6O/c1-17-12-18(2)24(19(3)13-17)30-25(33)21-10-7-11-31(15-21)23-14-22(20-8-5-4-6-9-20)29-26-27-16-28-32(23)26/h4-6,8-9,12-14,16,21H,7,10-11,15H2,1-3H3,(H,30,33)
InChIKeyQUSXMRXCSAMJGM-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.57
Rot. Bonds4

About 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide

1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide (PubChem CID 3227365) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
PubChem CID3227365
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCCN(c3cc(-c4ccccc4)nc4ncnn34)C2)c(C)c1
InChIInChI=1S/C26H28N6O/c1-17-12-18(2)24(19(3)13-17)30-25(33)21-10-7-11-31(15-21)23-14-22(20-8-5-4-6-9-20)29-26-27-16-28-32(23)26/h4-6,8-9,12-14,16,21H,7,10-11,15H2,1-3H3,(H,30,33)
InChIKeyQUSXMRXCSAMJGM-UHFFFAOYSA-N
XLogP4.57
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 95649125
(3S)-N-(2-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 51686882
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 3227361
(3S)-N-cyclopentyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 51687580
(3R)-N-(4-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 51686885
5-phenyl-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 75369292
N-(2,4-dimethoxyphenyl)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 3227303
[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 78799878
1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 3223401
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 7205261
7-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 92771815
(3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 51687450

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide (CID 3227365) is 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide is Cc1cc(C)c(NC(=O)C2CCCN(c3cc(-c4ccccc4)nc4ncnn34)C2)c(C)c1.
What is the InChIKey of 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
The InChIKey is QUSXMRXCSAMJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-17-12-18(2)24(19(3)13-17)30-25(33)21-10-7-11-31(15-21)23-14-22(20-8-5-4-6-9-20)29-26-27-16-28-32(23)26/h4-6,8-9,12-14,16,21H,7,10-11,15H2,1-3H3,(H,30,33).
What are the key properties of 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide?
1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 3227365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).