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

C21H22N6O2 — CID 25125131

IUPAC2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4ccc(N5CCN(C)CC5)nc43)c2=O)cc1
InChIInChI=1S/C21H22N6O2/c1-25-9-11-26(12-10-25)18-8-7-17-20(23-18)19-16(13-22-17)21(28)27(24-19)14-3-5-15(29-2)6-4-14/h3-8,13,24H,9-12H2,1-2H3
InChIKeyONKQUGDEKDTFHX-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.02
Rot. Bonds3

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

2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one (PubChem CID 25125131) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
PubChem CID25125131
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4ccc(N5CCN(C)CC5)nc43)c2=O)cc1
InChIInChI=1S/C21H22N6O2/c1-25-9-11-26(12-10-25)18-8-7-17-20(23-18)19-16(13-22-17)21(28)27(24-19)14-3-5-15(29-2)6-4-14/h3-8,13,24H,9-12H2,1-2H3
InChIKeyONKQUGDEKDTFHX-UHFFFAOYSA-N
XLogP2.02
TPSA79.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
The IUPAC name of 2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one (CID 25125131) is 2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
The canonical SMILES for 2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one is COc1ccc(-n2[nH]c3c(cnc4ccc(N5CCN(C)CC5)nc43)c2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
The InChIKey is ONKQUGDEKDTFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-25-9-11-26(12-10-25)18-8-7-17-20(23-18)19-16(13-22-17)21(28)27(24-19)14-3-5-15(29-2)6-4-14/h3-8,13,24H,9-12H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one has a molecular weight of 390.45 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one is sourced from PubChem (CID 25125131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).