2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone

C23H25N7O — CID 55685577

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone
SMILESCc1cc(C)n2nc(CC(=O)N3CCN(Cc4cccc5cccnc45)CC3)nc2n1
InChIInChI=1S/C23H25N7O/c1-16-13-17(2)30-23(25-16)26-20(27-30)14-21(31)29-11-9-28(10-12-29)15-19-6-3-5-18-7-4-8-24-22(18)19/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyFRRRSEBYJBOEQA-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.18
Rot. Bonds4

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 55685577) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone
PubChem CID55685577
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone
SMILESCc1cc(C)n2nc(CC(=O)N3CCN(Cc4cccc5cccnc45)CC3)nc2n1
InChIInChI=1S/C23H25N7O/c1-16-13-17(2)30-23(25-16)26-20(27-30)14-21(31)29-11-9-28(10-12-29)15-19-6-3-5-18-7-4-8-24-22(18)19/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyFRRRSEBYJBOEQA-UHFFFAOYSA-N
XLogP2.18
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 56551398
3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one
CID 51336494
(3,5-dimethoxy-4-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55512963
(2-iodo-3-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55691428
1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-quinolin-8-ylethanone
CID 55507622
4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one
CID 16622943
2-naphthalen-1-yl-N-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 16623035
2,4-dimethyl-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 55513056
3-methyl-5-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 32742377
(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697
(2-ethoxy-3-pyridinyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16622980
8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline
CID 60982843

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone (CID 55685577) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone is Cc1cc(C)n2nc(CC(=O)N3CCN(Cc4cccc5cccnc45)CC3)nc2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is FRRRSEBYJBOEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-16-13-17(2)30-23(25-16)26-20(27-30)14-21(31)29-11-9-28(10-12-29)15-19-6-3-5-18-7-4-8-24-22(18)19/h3-8,13H,9-12,14-15H2,1-2H3.
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 415.50 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55685577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).