5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one

C23H25N7O2 — CID 175559628

IUPAC5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one
SMILESCn1cc(-c2cn(CCOc3ccnc4cc(N5CCNCC5)ccc34)c(=O)cn2)cn1
InChIInChI=1S/C23H25N7O2/c1-28-15-17(13-27-28)21-16-30(23(31)14-26-21)10-11-32-22-4-5-25-20-12-18(2-3-19(20)22)29-8-6-24-7-9-29/h2-5,12-16,24H,6-11H2,1H3
InChIKeyJCQHYIVAKSOHIA-UHFFFAOYSA-N
MW431.50 g/mol
LogP1.68
Rot. Bonds6

About 5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one

5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one (PubChem CID 175559628) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one
PubChem CID175559628
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one
SMILESCn1cc(-c2cn(CCOc3ccnc4cc(N5CCNCC5)ccc34)c(=O)cn2)cn1
InChIInChI=1S/C23H25N7O2/c1-28-15-17(13-27-28)21-16-30(23(31)14-26-21)10-11-32-22-4-5-25-20-12-18(2-3-19(20)22)29-8-6-24-7-9-29/h2-5,12-16,24H,6-11H2,1H3
InChIKeyJCQHYIVAKSOHIA-UHFFFAOYSA-N
XLogP1.68
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one with MolForge

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Related Compounds

2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 175559664
5-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one
CID 25019422
7-piperazin-1-yl-4-[(7-piperazin-1-ylquinolin-4-yl)disulfanyl]quinoline
CID 139772933
1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one
CID 59843103
3-(2-methoxyethyl)-7-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]quinazolin-4-one
CID 126899053
4-ethoxy-7-pyrazol-1-ylquinoline
CID 155778831
5-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxo-3-pyridinyl]-3-methyl-1H-benzimidazol-2-one
CID 25017885
[6-(1-methylpyrazol-4-yl)-3-piperazin-1-ylimidazo[1,2-a]pyrazin-2-yl] 2,2,2-trifluoroacetate
CID 172550909
7-ethyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 167584329
3-ethyl-6-piperazin-1-yl-2H-indazole
CID 59781257
3-(2-methoxyethyl)-7-[4-(2-oxoazepan-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126899193
3-(2-methoxyethyl)-7-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126899244

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one (CID 175559628) is 5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one is Cn1cc(-c2cn(CCOc3ccnc4cc(N5CCNCC5)ccc34)c(=O)cn2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one?
The InChIKey is JCQHYIVAKSOHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-28-15-17(13-27-28)21-16-30(23(31)14-26-21)10-11-32-22-4-5-25-20-12-18(2-3-19(20)22)29-8-6-24-7-9-29/h2-5,12-16,24H,6-11H2,1H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one?
5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one has a molecular weight of 431.50 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-1-[2-(7-piperazin-1-ylquinolin-4-yl)oxyethyl]pyrazin-2-one is sourced from PubChem (CID 175559628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).