benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone

C20H19N5O — CID 135351660

IUPACbenzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3cnccc3n3c2nc2ccccc23)CC1
InChIInChI=1S/C20H19N5O/c1-23-8-10-24(11-9-23)20(26)15-12-14-13-21-7-6-17(14)25-18-5-3-2-4-16(18)22-19(15)25/h2-7,12-13H,8-11H2,1H3
InChIKeyRTDIHLZYGZAVJK-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.42
Rot. Bonds1

About benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone

benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone (PubChem CID 135351660) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namebenzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone
PubChem CID135351660
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Namebenzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3cnccc3n3c2nc2ccccc23)CC1
InChIInChI=1S/C20H19N5O/c1-23-8-10-24(11-9-23)20(26)15-12-14-13-21-7-6-17(14)25-18-5-3-2-4-16(18)22-19(15)25/h2-7,12-13H,8-11H2,1H3
InChIKeyRTDIHLZYGZAVJK-UHFFFAOYSA-N
XLogP2.42
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzimidazolo[1,2-a][1,6]naphthyridin-6-yl)ethanone;benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 162076066
benzimidazolo[1,2-a][1,6]naphthyridine-6-carboxylic acid;benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 159897335
[5-(dimethylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 122523588
benzimidazolo[1,2-a][1,6]naphthyridin-6-yl(ethoxy)methanol
CID 163724357
N-methyl-4-(4-methylpiperazin-1-yl)-1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,10,12,14,16-octaene-9-carboxamide
CID 122523487
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
(3,5-dimethylpiperazin-1-yl)-[5-(methylamino)benzimidazolo[1,2-a][1,6]naphthyridin-6-yl]methanone
CID 122523593
[2-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 140737040
3,10,13,20,23,30-hexazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17(22),18,20,24,26,28-tetradecaene
CID 138474717
3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 118509931
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 118509888

Frequently Asked Questions

What is the IUPAC name of benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone (CID 135351660) is benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3cnccc3n3c2nc2ccccc23)CC1.
What is the InChIKey of benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is RTDIHLZYGZAVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-23-8-10-24(11-9-23)20(26)15-12-14-13-21-7-6-17(14)25-18-5-3-2-4-16(18)22-19(15)25/h2-7,12-13H,8-11H2,1H3.
What are the key properties of benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone?
benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone has a molecular weight of 345.41 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 135351660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).