(4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid

C30H23FN4O2 — CID 39885559

IUPAC(4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCN1C/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c2nc3ccccc3c(C(=O)O)c2C1
InChIInChI=1S/C30H23FN4O2/c1-34-16-20(29-25(18-34)27(30(36)37)24-9-5-6-10-26(24)32-29)15-21-17-35(23-7-3-2-4-8-23)33-28(21)19-11-13-22(31)14-12-19/h2-15,17H,16,18H2,1H3,(H,36,37)/b20-15+
InChIKeyDZASMKHAANMCEU-HMMYKYKNSA-N
MW490.54 g/mol
LogP5.91
Rot. Bonds4

About (4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid

(4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid (PubChem CID 39885559) has the molecular formula C30H23FN4O2 and a molecular weight of 490.54 g/mol. Its IUPAC name is (4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid.

Molecular Properties

Compound Name(4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
PubChem CID39885559
Molecular FormulaC30H23FN4O2
Molecular Weight490.54 g/mol
Exact Mass490.18
IUPAC Name(4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCN1C/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c2nc3ccccc3c(C(=O)O)c2C1
InChIInChI=1S/C30H23FN4O2/c1-34-16-20(29-25(18-34)27(30(36)37)24-9-5-6-10-26(24)32-29)15-21-17-35(23-7-3-2-4-8-23)33-28(21)19-11-13-22(31)14-12-19/h2-15,17H,16,18H2,1H3,(H,36,37)/b20-15+
InChIKeyDZASMKHAANMCEU-HMMYKYKNSA-N
XLogP5.91
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.54
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid 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-methyl-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 91942254
(4E)-2-methyl-4-[(4-methylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 8864603
(4E)-4-[(2,4-dimethoxyphenyl)methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 8864440
(4E)-2-ethyl-4-[(2-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 7970745
(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 60590626
(4E)-4-[[3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]methylidene]-2-ethyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid;hydrochloride
CID 42913328
(4E)-2-ethyl-4-[(4-phenylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 8000397
(E)-1-(azetidin-1-yl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
CID 16609296
(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 2360671
methyl 2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxobutanoate
CID 4283171
(E)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
CID 56547615
(5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6295917

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
The IUPAC name of (4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid (CID 39885559) is (4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid.
What is the SMILES notation for (4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
The canonical SMILES for (4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid is CN1C/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c2nc3ccccc3c(C(=O)O)c2C1.
What is the InChIKey of (4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
The InChIKey is DZASMKHAANMCEU-HMMYKYKNSA-N. The full InChI is InChI=1S/C30H23FN4O2/c1-34-16-20(29-25(18-34)27(30(36)37)24-9-5-6-10-26(24)32-29)15-21-17-35(23-7-3-2-4-8-23)33-28(21)19-11-13-22(31)14-12-19/h2-15,17H,16,18H2,1H3,(H,36,37)/b20-15+.
What are the key properties of (4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid?
(4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid has a molecular weight of 490.54 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-methyl-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid is sourced from PubChem (CID 39885559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).