[5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol

C24H31N7O — CID 140924232

IUPAC[5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol
SMILESCNC(O)c1c(N(C)C)c2ccc(N3CCCN(C)CC3)nc2n2c1nc1ccccc12
InChIInChI=1S/C24H31N7O/c1-25-24(32)20-21(28(2)3)16-10-11-19(30-13-7-12-29(4)14-15-30)27-22(16)31-18-9-6-5-8-17(18)26-23(20)31/h5-6,8-11,24-25,32H,7,12-15H2,1-4H3
InChIKeyYMNCIQINFXAGEQ-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.45
Rot. Bonds4

About [5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol

[5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol (PubChem CID 140924232) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is [5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol.

Molecular Properties

Compound Name[5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol
PubChem CID140924232
Molecular FormulaC24H31N7O
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC Name[5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol
SMILESCNC(O)c1c(N(C)C)c2ccc(N3CCCN(C)CC3)nc2n2c1nc1ccccc12
InChIInChI=1S/C24H31N7O/c1-25-24(32)20-21(28(2)3)16-10-11-19(30-13-7-12-29(4)14-15-30)27-22(16)31-18-9-6-5-8-17(18)26-23(20)31/h5-6,8-11,24-25,32H,7,12-15H2,1-4H3
InChIKeyYMNCIQINFXAGEQ-UHFFFAOYSA-N
XLogP2.45
TPSA72.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol with MolForge

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

Launch Full Analysis

Related Compounds

5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 122523542
N-methoxy-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 118509929
2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 134443270
8-amino-N-methyl-5-(4-methyl-1,4-diazepan-1-yl)-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide
CID 122523591
[2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 140737040
N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 118509888
4-methyl-9-(4-methyl-1,4-diazepan-1-yl)-1,3,8,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12,14,16-octaene
CID 139357378
N-cyclopropyl-8-(methylamino)-5-(4-methyl-1,4-diazepan-1-yl)-1,3,4,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide
CID 122523577
[5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 122523588
5-(cyclopropylamino)-2-(3,5-dimethylpiperazin-1-yl)-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;5-(cyclopropylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N-cyclopropyl-2-[(3R)-3,5-dimethylpiperazin-1-yl]-5-(methylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N-cyclopropyl-2-(3,5-dimethylpiperazin-1-yl)-5-(propan-2-ylamino)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;5-(ethylamino)-N-methyl-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N-methyl-5-(methylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 162281753
4-(4-methylpiperazin-1-yl)-1,3,6,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carbonitrile
CID 118509916
N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
CID 25257093

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol?
The IUPAC name of [5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol (CID 140924232) is [5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol.
What is the SMILES notation for [5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol?
The canonical SMILES for [5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol is CNC(O)c1c(N(C)C)c2ccc(N3CCCN(C)CC3)nc2n2c1nc1ccccc12.
What is the InChIKey of [5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol?
The InChIKey is YMNCIQINFXAGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O/c1-25-24(32)20-21(28(2)3)16-10-11-19(30-13-7-12-29(4)14-15-30)27-22(16)31-18-9-6-5-8-17(18)26-23(20)31/h5-6,8-11,24-25,32H,7,12-15H2,1-4H3.
What are the key properties of [5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol?
[5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol has a molecular weight of 433.56 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylamino)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(methylamino)methanol is sourced from PubChem (CID 140924232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).