3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

C21H20FN5O — CID 118509931

IUPAC3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCN1CCC(NC(=O)c2cc3cc(F)cnc3n3c2nc2ccccc23)CC1
InChIInChI=1S/C21H20FN5O/c1-26-8-6-15(7-9-26)24-21(28)16-11-13-10-14(22)12-23-19(13)27-18-5-3-2-4-17(18)25-20(16)27/h2-5,10-12,15H,6-9H2,1H3,(H,24,28)
InChIKeyWQOUQMQWCPUPBB-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.00
Rot. Bonds2

About 3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide

3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (PubChem CID 118509931) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
PubChem CID118509931
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
SMILESCN1CCC(NC(=O)c2cc3cc(F)cnc3n3c2nc2ccccc23)CC1
InChIInChI=1S/C21H20FN5O/c1-26-8-6-15(7-9-26)24-21(28)16-11-13-10-14(22)12-23-19(13)27-18-5-3-2-4-17(18)25-20(16)27/h2-5,10-12,15H,6-9H2,1H3,(H,24,28)
InChIKeyWQOUQMQWCPUPBB-UHFFFAOYSA-N
XLogP3.00
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 134443270
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
N-methyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 118509888
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
N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide
CID 54045835
benzimidazolo[1,2-a][1,6]naphthyridin-6-yl-(4-methylpiperazin-1-yl)methanone
CID 135351660
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
1-[1-[5-fluoro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-3-methylurea
CID 67971597
2-(3,5-dimethylpiperazin-1-yl)-3-fluoro-N-propan-2-ylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 122511370
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
5-amino-2-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 54917300
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide
CID 122523516

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The IUPAC name of 3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide (CID 118509931) is 3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide.
What is the SMILES notation for 3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The canonical SMILES for 3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is CN1CCC(NC(=O)c2cc3cc(F)cnc3n3c2nc2ccccc23)CC1.
What is the InChIKey of 3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
The InChIKey is WQOUQMQWCPUPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-26-8-6-15(7-9-26)24-21(28)16-11-13-10-14(22)12-23-19(13)27-18-5-3-2-4-17(18)25-20(16)27/h2-5,10-12,15H,6-9H2,1H3,(H,24,28).
What are the key properties of 3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide?
3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-methylpiperidin-4-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide is sourced from PubChem (CID 118509931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).