N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide

C21H15N7O — CID 122285607

IUPACN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C21H15N7O/c29-20(18-13-23-28(26-18)17-5-2-1-3-6-17)24-16-9-7-15(8-10-16)19-14-27-12-4-11-22-21(27)25-19/h1-14H,(H,24,29)
InChIKeyWGDQCUHAOYQLTR-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.23
Rot. Bonds4

About N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide (PubChem CID 122285607) has the molecular formula C21H15N7O and a molecular weight of 381.40 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide
PubChem CID122285607
Molecular FormulaC21H15N7O
Molecular Weight381.40 g/mol
Exact Mass381.13
IUPAC NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C21H15N7O/c29-20(18-13-23-28(26-18)17-5-2-1-3-6-17)24-16-9-7-15(8-10-16)19-14-27-12-4-11-22-21(27)25-19/h1-14H,(H,24,29)
InChIKeyWGDQCUHAOYQLTR-UHFFFAOYSA-N
XLogP3.23
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-benzyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 55833853
2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]triazole-4-carboxamide
CID 122286360
4-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 121033065
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide
CID 75417013
(E)-3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 98846407
3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 55825812
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzamide
CID 121033061
N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide
CID 24661146
5-chloro-6-ethoxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyridine-3-carboxamide
CID 99807438
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122300794
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-naphthalen-1-ylacetamide
CID 122285628
5-amino-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 167937463

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide (CID 122285607) is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide is O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is WGDQCUHAOYQLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7O/c29-20(18-13-23-28(26-18)17-5-2-1-3-6-17)24-16-9-7-15(8-10-16)19-14-27-12-4-11-22-21(27)25-19/h1-14H,(H,24,29).
What are the key properties of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide?
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 122285607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).