2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone

C20H22N8O — CID 55518617

IUPAC2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)N1CCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C20H22N8O/c1-11-13(12(2)28-20(22-11)25-19(21)26-28)10-17(29)27-9-5-8-16(27)18-23-14-6-3-4-7-15(14)24-18/h3-4,6-7,16H,5,8-10H2,1-2H3,(H2,21,26)(H,23,24)
InChIKeyAWVBBCVGPTVGDB-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.11
Rot. Bonds3

About 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 55518617) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID55518617
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)N1CCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C20H22N8O/c1-11-13(12(2)28-20(22-11)25-19(21)26-28)10-17(29)27-9-5-8-16(27)18-23-14-6-3-4-7-15(14)24-18/h3-4,6-7,16H,5,8-10H2,1-2H3,(H2,21,26)(H,23,24)
InChIKeyAWVBBCVGPTVGDB-UHFFFAOYSA-N
XLogP2.11
TPSA118.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 55759179
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 51270033
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 110225725
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 92576442
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 42473100
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 92512790
1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 41367930
N-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 25405874
N-[2-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 25405873
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 25405008

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone (CID 55518617) is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone is Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCCC1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is AWVBBCVGPTVGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-11-13(12(2)28-20(22-11)25-19(21)26-28)10-17(29)27-9-5-8-16(27)18-23-14-6-3-4-7-15(14)24-18/h3-4,6-7,16H,5,8-10H2,1-2H3,(H2,21,26)(H,23,24).
What are the key properties of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 390.45 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 55518617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).