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

C20H21N7O — CID 25124790

IUPAC8-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
SMILESCN1CCCN(c2ccc3ncc4c(=O)n(-c5ccccn5)[nH]c4c3n2)CC1
InChIInChI=1S/C20H21N7O/c1-25-9-4-10-26(12-11-25)17-7-6-15-19(23-17)18-14(13-22-15)20(28)27(24-18)16-5-2-3-8-21-16/h2-3,5-8,13,24H,4,9-12H2,1H3
InChIKeyHPGOBLDBPFTJFN-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.80
Rot. Bonds2

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

8-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one (PubChem CID 25124790) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 8-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one.

Molecular Properties

Compound Name8-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
PubChem CID25124790
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name8-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
SMILESCN1CCCN(c2ccc3ncc4c(=O)n(-c5ccccn5)[nH]c4c3n2)CC1
InChIInChI=1S/C20H21N7O/c1-25-9-4-10-26(12-11-25)17-7-6-15-19(23-17)18-14(13-22-15)20(28)27(24-18)16-5-2-3-8-21-16/h2-3,5-8,13,24H,4,9-12H2,1H3
InChIKeyHPGOBLDBPFTJFN-UHFFFAOYSA-N
XLogP1.80
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
The IUPAC name of 8-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one (CID 25124790) is 8-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one.
What is the SMILES notation for 8-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
The canonical SMILES for 8-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one is CN1CCCN(c2ccc3ncc4c(=O)n(-c5ccccn5)[nH]c4c3n2)CC1.
What is the InChIKey of 8-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
The InChIKey is HPGOBLDBPFTJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-25-9-4-10-26(12-11-25)17-7-6-15-19(23-17)18-14(13-22-15)20(28)27(24-18)16-5-2-3-8-21-16/h2-3,5-8,13,24H,4,9-12H2,1H3.
What are the key properties of 8-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one?
8-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one has a molecular weight of 375.44 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one is sourced from PubChem (CID 25124790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).