2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide

C25H21FN4O2S2 — CID 42422113

IUPAC2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide
SMILESCc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C(=O)c1csc(-c3cccs3)n1)C2
InChIInChI=1S/C25H21FN4O2S2/c1-15-19(12-28-23(31)18-5-2-3-6-20(18)26)17-8-9-30(13-16(17)11-27-15)25(32)21-14-34-24(29-21)22-7-4-10-33-22/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,28,31)
InChIKeyFQMQXVMBCVTZLC-UHFFFAOYSA-N
MW492.60 g/mol
LogP4.84
Rot. Bonds5

About 2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide

2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide (PubChem CID 42422113) has the molecular formula C25H21FN4O2S2 and a molecular weight of 492.60 g/mol. Its IUPAC name is 2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide
PubChem CID42422113
Molecular FormulaC25H21FN4O2S2
Molecular Weight492.60 g/mol
Exact Mass492.11
IUPAC Name2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide
SMILESCc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C(=O)c1csc(-c3cccs3)n1)C2
InChIInChI=1S/C25H21FN4O2S2/c1-15-19(12-28-23(31)18-5-2-3-6-20(18)26)17-8-9-30(13-16(17)11-27-15)25(32)21-14-34-24(29-21)22-7-4-10-33-22/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,28,31)
InChIKeyFQMQXVMBCVTZLC-UHFFFAOYSA-N
XLogP4.84
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]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

2-fluoro-N-[[3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide
CID 42429933
N-[[7-[2-(2-chlorophenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide
CID 26277388
5-acetyl-N-[[7-(2-chloro-6-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-3-carboxamide
CID 42440247
N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide
CID 42172125
N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42380963
N-[[7-(2,3-dimethylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-methylsulfanylbenzamide
CID 42434900
N-[[7-[2-(2-chloro-4-fluorophenyl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide
CID 25294645
(E)-3-(2-fluorophenyl)-N-[[3-methyl-7-(1,3-thiazole-5-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]prop-2-enamide
CID 42319199
N-[[3-methyl-7-(5-methylthiophene-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrazine-2-carboxamide
CID 42325286
N-[[3-methyl-7-(thiophene-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-phenoxypropanamide
CID 26360754
N-[[3-methyl-7-(1H-pyrazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 74807639
N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26138834

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide (CID 42422113) is 2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide is Cc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C(=O)c1csc(-c3cccs3)n1)C2.
What is the InChIKey of 2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide?
The InChIKey is FQMQXVMBCVTZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2S2/c1-15-19(12-28-23(31)18-5-2-3-6-20(18)26)17-8-9-30(13-16(17)11-27-15)25(32)21-14-34-24(29-21)22-7-4-10-33-22/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,28,31).
What are the key properties of 2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide?
2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide has a molecular weight of 492.60 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[3-methyl-7-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]benzamide is sourced from PubChem (CID 42422113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).