N-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide

C23H22ClN7O — CID 154751124

IUPACN-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)cc1Cl
InChIInChI=1S/C23H22ClN7O/c1-16-7-8-18(13-19(16)24)27-23(32)30-11-9-29(10-12-30)21-14-20(17-5-3-2-4-6-17)28-22-25-15-26-31(21)22/h2-8,13-15H,9-12H2,1H3,(H,27,32)
InChIKeyNAUMHUYOJUAUIE-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.11
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide

N-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide (PubChem CID 154751124) has the molecular formula C23H22ClN7O and a molecular weight of 447.93 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide
PubChem CID154751124
Molecular FormulaC23H22ClN7O
Molecular Weight447.93 g/mol
Exact Mass447.16
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)cc1Cl
InChIInChI=1S/C23H22ClN7O/c1-16-7-8-18(13-19(16)24)27-23(32)30-11-9-29(10-12-30)21-14-20(17-5-3-2-4-6-17)28-22-25-15-26-31(21)22/h2-8,13-15H,9-12H2,1H3,(H,27,32)
InChIKeyNAUMHUYOJUAUIE-UHFFFAOYSA-N
XLogP4.11
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide 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

[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 3227252
4,5-dimethyl-2-[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole
CID 127652721
N-(3-chloro-4-methylphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921239
1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 3227365
4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940
7-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 648498
1-(4-fluorophenyl)-3-[1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]urea
CID 119038965
N-(3-chloro-4-methylphenyl)-4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56699154
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
(3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 95649125
N-[3-(7-morpholin-4-ylimidazo[1,2-b][1,2,4]triazin-3-yl)phenyl]pyrrolidine-1-carboxamide
CID 126571913
N-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide
CID 60557510

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide (CID 154751124) is N-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide?
The InChIKey is NAUMHUYOJUAUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O/c1-16-7-8-18(13-19(16)24)27-23(32)30-11-9-29(10-12-30)21-14-20(17-5-3-2-4-6-17)28-22-25-15-26-31(21)22/h2-8,13-15H,9-12H2,1H3,(H,27,32).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide?
N-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide has a molecular weight of 447.93 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 154751124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).