1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide

C21H16N8O — CID 157015226

IUPAC1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)Nc1nc2nccc(-c3ccccn3)n2n1
InChIInChI=1S/C21H16N8O/c1-28-18(13-16(26-28)14-7-3-2-4-8-14)19(30)24-20-25-21-23-12-10-17(29(21)27-20)15-9-5-6-11-22-15/h2-13H,1H3,(H,24,27,30)
InChIKeyJFCQOBKXNDPVHB-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.84
Rot. Bonds4

About 1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide

1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide (PubChem CID 157015226) has the molecular formula C21H16N8O and a molecular weight of 396.41 g/mol. Its IUPAC name is 1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide
PubChem CID157015226
Molecular FormulaC21H16N8O
Molecular Weight396.41 g/mol
Exact Mass396.14
IUPAC Name1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1C(=O)Nc1nc2nccc(-c3ccccn3)n2n1
InChIInChI=1S/C21H16N8O/c1-28-18(13-16(26-28)14-7-3-2-4-8-14)19(30)24-20-25-21-23-12-10-17(29(21)27-20)15-9-5-6-11-22-15/h2-13H,1H3,(H,24,27,30)
InChIKeyJFCQOBKXNDPVHB-UHFFFAOYSA-N
XLogP2.84
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-3-phenyl-N-(4-pyridin-2-ylpyrimidin-2-yl)pyrazole-5-carboxamide
CID 157013310
5-methyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1,2-oxazole-3-carboxamide
CID 155917099
4-oxo-4-[(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]butanoic acid
CID 707944
1-methyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide
CID 71703539
2-oxo-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-oxaspiro[4.4]nonane-4-carboxamide
CID 162635647
1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
CID 44824119
1-methyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-3-phenylpyrazole-5-carboxamide
CID 122315086
N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122304031
3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide
CID 122285837
7-pyridin-2-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497841
1-methyl-3-phenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide
CID 122318478
N-[4-(benzoylsulfamoyl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 118947290

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide (CID 157015226) is 1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)Nc1nc2nccc(-c3ccccn3)n2n1.
What is the InChIKey of 1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide?
The InChIKey is JFCQOBKXNDPVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N8O/c1-28-18(13-16(26-28)14-7-3-2-4-8-14)19(30)24-20-25-21-23-12-10-17(29(21)27-20)15-9-5-6-11-22-15/h2-13H,1H3,(H,24,27,30).
What are the key properties of 1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide?
1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-N-(7-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 157015226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).