N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide

C16H13N7O — CID 122285134

IUPACN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)nn1
InChIInChI=1S/C16H13N7O/c1-22-9-14(20-21-22)15(24)18-12-5-2-4-11(8-12)13-10-23-7-3-6-17-16(23)19-13/h2-10H,1H3,(H,18,24)
InChIKeyINTVQPPANPOAEN-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.78
Rot. Bonds3

About N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide (PubChem CID 122285134) has the molecular formula C16H13N7O and a molecular weight of 319.33 g/mol. Its IUPAC name is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide
PubChem CID122285134
Molecular FormulaC16H13N7O
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)nn1
InChIInChI=1S/C16H13N7O/c1-22-9-14(20-21-22)15(24)18-12-5-2-4-11(8-12)13-10-23-7-3-6-17-16(23)19-13/h2-10H,1H3,(H,18,24)
InChIKeyINTVQPPANPOAEN-UHFFFAOYSA-N
XLogP1.78
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)quinoline-2-carboxamide
CID 122285084
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 122285165
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-3-carboxamide
CID 122285141
3-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080166
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide
CID 122285068
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122285119
3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 27652156
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide
CID 167780331
4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080161
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(3-methylphenyl)acetamide
CID 7080185
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide
CID 122285167
1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 122285057

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide?
The IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide (CID 122285134) is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)nn1.
What is the InChIKey of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide?
The InChIKey is INTVQPPANPOAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O/c1-22-9-14(20-21-22)15(24)18-12-5-2-4-11(8-12)13-10-23-7-3-6-17-16(23)19-13/h2-10H,1H3,(H,18,24).
What are the key properties of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide?
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 122285134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).