1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one

C24H22F2N4O3 — CID 162620056

IUPAC1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one
SMILES[H]/N=c1\ccc(-c2cc3ccc(OCC)nc3n(-c3ccc(OC(F)F)cc3)c2=O)cn1CC
InChIInChI=1S/C24H22F2N4O3/c1-3-29-14-16(5-11-20(29)27)19-13-15-6-12-21(32-4-2)28-22(15)30(23(19)31)17-7-9-18(10-8-17)33-24(25)26/h5-14,24,27H,3-4H2,1-2H3/b27-20+
InChIKeyKUQHVVNBZUVUPY-NHFJDJAPSA-N
MW452.46 g/mol
LogP4.35
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one

1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one (PubChem CID 162620056) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one
PubChem CID162620056
Molecular FormulaC24H22F2N4O3
Molecular Weight452.46 g/mol
Exact Mass452.17
IUPAC Name1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one
SMILES[H]/N=c1\ccc(-c2cc3ccc(OCC)nc3n(-c3ccc(OC(F)F)cc3)c2=O)cn1CC
InChIInChI=1S/C24H22F2N4O3/c1-3-29-14-16(5-11-20(29)27)19-13-15-6-12-21(32-4-2)28-22(15)30(23(19)31)17-7-9-18(10-8-17)33-24(25)26/h5-14,24,27H,3-4H2,1-2H3/b27-20+
InChIKeyKUQHVVNBZUVUPY-NHFJDJAPSA-N
XLogP4.35
TPSA82.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one 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

(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide
CID 11177997
1-[(4-fluorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N-(oxan-4-yl)-4-oxopyrimidine-5-carboxamide
CID 118683420
1-[(3-fluorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N-(oxan-4-yl)-4-oxopyrimidine-5-carboxamide
CID 118683421
1-[(2-fluorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N-(oxan-4-yl)-4-oxopyrimidine-5-carboxamide
CID 118683423
1-[1-(4-fluorophenyl)ethyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N-(oxan-4-yl)-4-oxopyrimidine-5-carboxamide
CID 118683452
1-[(2,4-difluorophenyl)methyl]-2-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-N-(oxan-4-yl)-4-oxopyrimidine-5-carboxamide
CID 118683493
N-(4-Butoxy-phenyl)-2-(5,7-dimethyl-2-oxo-2H-[1,8]naphthyridin-1-yl)-acetamide
CID 647627
4-phenoxy-N-[5-(trifluoromethyl)-2-pyridyl]butanamide
CID 84353474
[3-Butyl-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate
CID 14221963
[1-(4-Methoxyphenyl)-2-oxo-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate
CID 14222006
[2-Oxo-1-(4-phenylmethoxyphenyl)-3-prop-2-enyl-1,8-naphthyridin-4-yl] acetate
CID 14222007
1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 26844169

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one (CID 162620056) is 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one is [H]/N=c1\ccc(-c2cc3ccc(OCC)nc3n(-c3ccc(OC(F)F)cc3)c2=O)cn1CC.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one?
The InChIKey is KUQHVVNBZUVUPY-NHFJDJAPSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c1-3-29-14-16(5-11-20(29)27)19-13-15-6-12-21(32-4-2)28-22(15)30(23(19)31)17-7-9-18(10-8-17)33-24(25)26/h5-14,24,27H,3-4H2,1-2H3/b27-20+.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one?
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one has a molecular weight of 452.46 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 162620056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).