5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine

C29H26N4O4 — CID 135232178

IUPAC5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine
SMILESC=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccc6c(c5)OCCO6)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C29H26N4O4/c1-17-2-5-22-25(8-9-30-29(22)32-17)37-21-4-7-24-19(13-21)12-20(16-36-24)28-31-15-23(33-28)18-3-6-26-27(14-18)35-11-10-34-26/h3-4,6-9,13-15,20H,1-2,5,10-12,16H2,(H,30,32)(H,31,33)
InChIKeyCUGJSCXGHRPZHF-UHFFFAOYSA-N
MW494.55 g/mol
LogP5.63
Rot. Bonds4

About 5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine

5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine (PubChem CID 135232178) has the molecular formula C29H26N4O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is 5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine.

Molecular Properties

Compound Name5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine
PubChem CID135232178
Molecular FormulaC29H26N4O4
Molecular Weight494.55 g/mol
Exact Mass494.20
IUPAC Name5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine
SMILESC=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccc6c(c5)OCCO6)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C29H26N4O4/c1-17-2-5-22-25(8-9-30-29(22)32-17)37-21-4-7-24-19(13-21)12-20(16-36-24)28-31-15-23(33-28)18-3-6-26-27(14-18)35-11-10-34-26/h3-4,6-9,13-15,20H,1-2,5,10-12,16H2,(H,30,32)(H,31,33)
InChIKeyCUGJSCXGHRPZHF-UHFFFAOYSA-N
XLogP5.63
TPSA90.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.55
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine 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

5-[[3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 118948531
5-[[(3R)-3-[5-[2-(difluoromethyl)-4-pyridinyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162772345
ethane;5-[[3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 145030753
5-[[3-[5-(5-methoxy-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162712999
5-[[3-[5-(2-methyl-3-pyridinyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163641755
5-[[3-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162712857
5-[[(3S)-3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162772352
5-[[3-(4-methyl-1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163561075
5-[[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163909174
5-[[3-(5-acetyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 162712938
5-[[3-[4-[(dimethylamino)methyl]-6-methyl-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 163561076
5-[[3-(5-pyridin-4-yl-3H-pyrrol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 158835012

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine?
The IUPAC name of 5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine (CID 135232178) is 5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine.
What is the SMILES notation for 5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine?
The canonical SMILES for 5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine is C=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccc6c(c5)OCCO6)[nH]3)CO4)ccnc2N1.
What is the InChIKey of 5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine?
The InChIKey is CUGJSCXGHRPZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4/c1-17-2-5-22-25(8-9-30-29(22)32-17)37-21-4-7-24-19(13-21)12-20(16-36-24)28-31-15-23(33-28)18-3-6-26-27(14-18)35-11-10-34-26/h3-4,6-9,13-15,20H,1-2,5,10-12,16H2,(H,30,32)(H,31,33).
What are the key properties of 5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine?
5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine has a molecular weight of 494.55 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-2-methylidene-3,4-dihydro-1H-1,8-naphthyridine is sourced from PubChem (CID 135232178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).