[5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

C23H26N6O — CID 122523588

IUPAC[5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2c(N(C)C)c3cnccc3n3c2nc2ccccc23)CC1
InChIInChI=1S/C23H26N6O/c1-26(2)21-16-15-24-10-9-18(16)29-19-8-5-4-7-17(19)25-22(29)20(21)23(30)28-12-6-11-27(3)13-14-28/h4-5,7-10,15H,6,11-14H2,1-3H3
InChIKeyMAKYVNVTMOEDSB-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.88
Rot. Bonds2

About [5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

[5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 122523588) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is [5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID122523588
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name[5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2c(N(C)C)c3cnccc3n3c2nc2ccccc23)CC1
InChIInChI=1S/C23H26N6O/c1-26(2)21-16-15-24-10-9-18(16)29-19-8-5-4-7-17(19)25-22(29)20(21)23(30)28-12-6-11-27(3)13-14-28/h4-5,7-10,15H,6,11-14H2,1-3H3
InChIKeyMAKYVNVTMOEDSB-UHFFFAOYSA-N
XLogP2.88
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone 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 [5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 122523588) is [5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)c2c(N(C)C)c3cnccc3n3c2nc2ccccc23)CC1.
What is the InChIKey of [5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is MAKYVNVTMOEDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-26(2)21-16-15-24-10-9-18(16)29-19-8-5-4-7-17(19)25-22(29)20(21)23(30)28-12-6-11-27(3)13-14-28/h4-5,7-10,15H,6,11-14H2,1-3H3.
What are the key properties of [5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 402.50 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 122523588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).