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

C19H19N7O — CID 25124788

IUPAC8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
SMILESCN1CCN(c2ccc3ncc4c(=O)n(-c5ccccn5)[nH]c4c3n2)CC1
InChIInChI=1S/C19H19N7O/c1-24-8-10-25(11-9-24)16-6-5-14-18(22-16)17-13(12-21-14)19(27)26(23-17)15-4-2-3-7-20-15/h2-7,12,23H,8-11H2,1H3
InChIKeyPTFAWVYGXORJFK-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.41
Rot. Bonds2

About 8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-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 (PubChem CID 25124788) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one.

Molecular Properties

Compound Name8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
PubChem CID25124788
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
SMILESCN1CCN(c2ccc3ncc4c(=O)n(-c5ccccn5)[nH]c4c3n2)CC1
InChIInChI=1S/C19H19N7O/c1-24-8-10-25(11-9-24)16-6-5-14-18(22-16)17-13(12-21-14)19(27)26(23-17)15-4-2-3-7-20-15/h2-7,12,23H,8-11H2,1H3
InChIKeyPTFAWVYGXORJFK-UHFFFAOYSA-N
XLogP1.41
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.41
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 8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
The IUPAC name of 8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one (CID 25124788) is 8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one.
What is the SMILES notation for 8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
The canonical SMILES for 8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one is CN1CCN(c2ccc3ncc4c(=O)n(-c5ccccn5)[nH]c4c3n2)CC1.
What is the InChIKey of 8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
The InChIKey is PTFAWVYGXORJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-24-8-10-25(11-9-24)16-6-5-14-18(22-16)17-13(12-21-14)19(27)26(23-17)15-4-2-3-7-20-15/h2-7,12,23H,8-11H2,1H3.
What are the key properties of 8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-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 has a molecular weight of 361.41 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one is sourced from PubChem (CID 25124788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).