N-ethyl-2-fluoro-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide

C27H32FN5O2 — CID 154584527

IUPACN-ethyl-2-fluoro-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide
SMILESCCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)C3CCCN=C43)CC2)cc1F
InChIInChI=1S/C27H32FN5O2/c1-3-29-26(34)20-7-6-19(15-22(20)28)33-11-9-32(10-12-33)16-18-13-17(2)24-23(14-18)31-27(35)21-5-4-8-30-25(21)24/h6-7,13-15,21H,3-5,8-12,16H2,1-2H3,(H,29,34)(H,31,35)
InChIKeyFSJCCEJDMDTERE-UHFFFAOYSA-N
MW477.58 g/mol
LogP3.36
Rot. Bonds5

About N-ethyl-2-fluoro-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide

N-ethyl-2-fluoro-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide (PubChem CID 154584527) has the molecular formula C27H32FN5O2 and a molecular weight of 477.58 g/mol. Its IUPAC name is N-ethyl-2-fluoro-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide
PubChem CID154584527
Molecular FormulaC27H32FN5O2
Molecular Weight477.58 g/mol
Exact Mass477.25
IUPAC NameN-ethyl-2-fluoro-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide
SMILESCCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)C3CCCN=C43)CC2)cc1F
InChIInChI=1S/C27H32FN5O2/c1-3-29-26(34)20-7-6-19(15-22(20)28)33-11-9-32(10-12-33)16-18-13-17(2)24-23(14-18)31-27(35)21-5-4-8-30-25(21)24/h6-7,13-15,21H,3-5,8-12,16H2,1-2H3,(H,29,34)(H,31,35)
InChIKeyFSJCCEJDMDTERE-UHFFFAOYSA-N
XLogP3.36
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-fluoro-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide 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

Yqnkitkmolerfy-uhfffaoysa-
CID 10501415
4-[4-[3-(5-amino-7-fluoro-1-oxo-2H-isoquinolin-3-yl)propyl]piperazin-1-yl]benzamide
CID 126483567
4-[4-[3-(5-amino-7-fluoro-1-oxo-2H-isoquinolin-3-yl)propyl]piperazin-1-yl]-N-methylbenzamide
CID 126483601
(S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-methyl-2-oxo-5-(1-oxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-propionamide
CID 44354512
8-fluoro-N-(2-morpholinoethyl)-6-oxo-5,6-dihydrophenanthridine-3-carboxamide
CID 9864119
8-Fluoro-6-oxo-5,6-dihydro-phenanthridine-3-carboxylic acid phenethyl-amide
CID 10155422
N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-10-yl]acetamide
CID 10339437
7-[4-[4-(2,3-Dimethylphenyl)piperazin-1-yl]butanoyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 129103263
7-[3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]propanoyl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 129103399
3-[cyclopropanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 135249179
8-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-9-phenyl-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
CID 136385224
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-7-yl)-4-phenyl-3-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 145963228

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide?
The IUPAC name of N-ethyl-2-fluoro-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide (CID 154584527) is N-ethyl-2-fluoro-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide.
What is the SMILES notation for N-ethyl-2-fluoro-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide?
The canonical SMILES for N-ethyl-2-fluoro-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide is CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)C3CCCN=C43)CC2)cc1F.
What is the InChIKey of N-ethyl-2-fluoro-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide?
The InChIKey is FSJCCEJDMDTERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O2/c1-3-29-26(34)20-7-6-19(15-22(20)28)33-11-9-32(10-12-33)16-18-13-17(2)24-23(14-18)31-27(35)21-5-4-8-30-25(21)24/h6-7,13-15,21H,3-5,8-12,16H2,1-2H3,(H,29,34)(H,31,35).
What are the key properties of N-ethyl-2-fluoro-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide?
N-ethyl-2-fluoro-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide has a molecular weight of 477.58 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 154584527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).