2-(4-ethylphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one

C22H24N6O — CID 70276501

IUPAC2-(4-ethylphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
SMILESCCc1ccc(-n2[nH]c3c(cnc4ccc(N5CCN(C)CC5)nc43)c2=O)cc1
InChIInChI=1S/C22H24N6O/c1-3-15-4-6-16(7-5-15)28-22(29)17-14-23-18-8-9-19(24-21(18)20(17)25-28)27-12-10-26(2)11-13-27/h4-9,14,25H,3,10-13H2,1-2H3
InChIKeyZSUAGOYOPSNRLU-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.58
Rot. Bonds3

About 2-(4-ethylphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one

2-(4-ethylphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one (PubChem CID 70276501) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
PubChem CID70276501
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2-(4-ethylphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
SMILESCCc1ccc(-n2[nH]c3c(cnc4ccc(N5CCN(C)CC5)nc43)c2=O)cc1
InChIInChI=1S/C22H24N6O/c1-3-15-4-6-16(7-5-15)28-22(29)17-14-23-18-8-9-19(24-21(18)20(17)25-28)27-12-10-26(2)11-13-27/h4-9,14,25H,3,10-13H2,1-2H3
InChIKeyZSUAGOYOPSNRLU-UHFFFAOYSA-N
XLogP2.58
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
CID 25124788
8-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
CID 25124790
8-(1,4-diazepan-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-[3-(hydroxymethyl)piperidin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-hydroxypiperidin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one;8-(3-oxopiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
CID 160646063
8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 25125978
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CID 10040978
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CID 143709843
2-methyl-2-[4-[9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
CID 90077575
2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one
CID 18330010
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6-ethyl-4-(4-methylpiperazin-1-yl)quinazoline
CID 21002576
N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278327
1-[5-(chloromethyl)-2-pyridinyl]-4-methylpiperazine;hydrochloride
CID 133058572

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
The IUPAC name of 2-(4-ethylphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one (CID 70276501) is 2-(4-ethylphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one.
What is the SMILES notation for 2-(4-ethylphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
The canonical SMILES for 2-(4-ethylphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one is CCc1ccc(-n2[nH]c3c(cnc4ccc(N5CCN(C)CC5)nc43)c2=O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
The InChIKey is ZSUAGOYOPSNRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-3-15-4-6-16(7-5-15)28-22(29)17-14-23-18-8-9-19(24-21(18)20(17)25-28)27-12-10-26(2)11-13-27/h4-9,14,25H,3,10-13H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
2-(4-ethylphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one has a molecular weight of 388.48 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one is sourced from PubChem (CID 70276501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).