2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline

C20H20N6 — CID 142464241

IUPAC2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
SMILESCc1cc(-c2cnn3cc(N4CCNCC4)cnc23)c2ccccc2n1
InChIInChI=1S/C20H20N6/c1-14-10-17(16-4-2-3-5-19(16)24-14)18-12-23-26-13-15(11-22-20(18)26)25-8-6-21-7-9-25/h2-5,10-13,21H,6-9H2,1H3
InChIKeyIPBCLHVFYRDFIW-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.66
Rot. Bonds2

About 2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline

2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline (PubChem CID 142464241) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline.

Molecular Properties

Compound Name2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
PubChem CID142464241
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
SMILESCc1cc(-c2cnn3cc(N4CCNCC4)cnc23)c2ccccc2n1
InChIInChI=1S/C20H20N6/c1-14-10-17(16-4-2-3-5-19(16)24-14)18-12-23-26-13-15(11-22-20(18)26)25-8-6-21-7-9-25/h2-5,10-13,21H,6-9H2,1H3
InChIKeyIPBCLHVFYRDFIW-UHFFFAOYSA-N
XLogP2.66
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 142464396
4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine
CID 142464186
4-[6-[4-(2,6-dimethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylquinoline
CID 123842835
ethane;1-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-1,4-azaborinane-4-carbonitrile
CID 144728039
4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline chloride
CID 146018845
4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-2-amine
CID 142464143
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
2-methyl-4-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326669
7-ethyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 163291612
2-deuterio-4-[6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;2-deuterio-4-[6-(6-piperidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 157064584
4-[6-(4-imidazolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalen-2-amine
CID 163296473
2-methyl-6-piperazin-1-ylquinoxaline
CID 117275288

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
The IUPAC name of 2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline (CID 142464241) is 2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline.
What is the SMILES notation for 2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
The canonical SMILES for 2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline is Cc1cc(-c2cnn3cc(N4CCNCC4)cnc23)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
The InChIKey is IPBCLHVFYRDFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-14-10-17(16-4-2-3-5-19(16)24-14)18-12-23-26-13-15(11-22-20(18)26)25-8-6-21-7-9-25/h2-5,10-13,21H,6-9H2,1H3.
What are the key properties of 2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline?
2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline has a molecular weight of 344.42 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(6-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline is sourced from PubChem (CID 142464241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).