ethane;1-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;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

C57H58N6O8 — CID 163729723

IUPACethane;1-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;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
SMILESCC.CC.O=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)CCC(=O)c3ccccc3)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccccc5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C27H24N2O5.C26H22N4O3.2C2H6/c30-22(17-4-2-1-3-5-17)8-9-23(31)19-14-18-15-20(6-10-24(18)33-16-19)34-25-12-13-28-27-21(25)7-11-26(32)29-27;31-24-9-7-20-23(10-11-27-26(20)30-24)33-19-6-8-22-17(13-19)12-18(15-32-22)25-28-14-21(29-25)16-4-2-1-3-5-16;2*1-2/h1-6,10,12-13,15,19H,7-9,11,14,16H2,(H,28,29,32);1-6,8,10-11,13-14,18H,7,9,12,15H2,(H,28,29)(H,27,30,31);2*1-2H3
InChIKeyKYOLIILCTNJWHS-UHFFFAOYSA-N
MW955.12 g/mol
LogP11.46
Rot. Bonds11

About ethane;1-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;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

ethane;1-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;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 (PubChem CID 163729723) has the molecular formula C57H58N6O8 and a molecular weight of 955.12 g/mol. Its IUPAC name is ethane;1-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;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.

Molecular Properties

Compound Nameethane;1-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;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
PubChem CID163729723
Molecular FormulaC57H58N6O8
Molecular Weight955.12 g/mol
Exact Mass954.43
IUPAC Nameethane;1-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;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
SMILESCC.CC.O=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)CCC(=O)c3ccccc3)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccccc5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C27H24N2O5.C26H22N4O3.2C2H6/c30-22(17-4-2-1-3-5-17)8-9-23(31)19-14-18-15-20(6-10-24(18)33-16-19)34-25-12-13-28-27-21(25)7-11-26(32)29-27;31-24-9-7-20-23(10-11-27-26(20)30-24)33-19-6-8-22-17(13-19)12-18(15-32-22)25-28-14-21(29-25)16-4-2-1-3-5-16;2*1-2/h1-6,10,12-13,15,19H,7-9,11,14,16H2,(H,28,29,32);1-6,8,10-11,13-14,18H,7,9,12,15H2,(H,28,29)(H,27,30,31);2*1-2H3
InChIKeyKYOLIILCTNJWHS-UHFFFAOYSA-N
XLogP11.46
TPSA183.72 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500955.12
LogP ≤ 511.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze ethane;1-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;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 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-[5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3H-benzimidazole-5-carboxamide
CID 71621047
5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71621203
5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71621371
5-[[1-(1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71622799
5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71622946
US10183939, Example 13
CID 118948896
US10183939, Example 3A
CID 118948531
US10183939, Example 11
CID 118948407
Anticancer agent 124
CID 118948409
US10183939, Example 4
CID 118948412
US10183939, Example 12
CID 118948469
US10183939, Example 1
CID 118948488

Frequently Asked Questions

What is the IUPAC name of ethane;1-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;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?
The IUPAC name of ethane;1-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;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 163729723) is ethane;1-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;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.
What is the SMILES notation for ethane;1-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;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?
The canonical SMILES for ethane;1-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;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 is CC.CC.O=C1CCc2c(Oc3ccc4c(c3)CC(C(=O)CCC(=O)c3ccccc3)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5ccccc5)[nH]3)CO4)ccnc2N1.
What is the InChIKey of ethane;1-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;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?
The InChIKey is KYOLIILCTNJWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5.C26H22N4O3.2C2H6/c30-22(17-4-2-1-3-5-17)8-9-23(31)19-14-18-15-20(6-10-24(18)33-16-19)34-25-12-13-28-27-21(25)7-11-26(32)29-27;31-24-9-7-20-23(10-11-27-26(20)30-24)33-19-6-8-22-17(13-19)12-18(15-32-22)25-28-14-21(29-25)16-4-2-1-3-5-16;2*1-2/h1-6,10,12-13,15,19H,7-9,11,14,16H2,(H,28,29,32);1-6,8,10-11,13-14,18H,7,9,12,15H2,(H,28,29)(H,27,30,31);2*1-2H3.
What are the key properties of ethane;1-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;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?
ethane;1-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;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 has a molecular weight of 955.12 g/mol, XLogP of 11.46, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[6-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-3,4-dihydro-2H-chromen-3-yl]-4-phenylbutane-1,4-dione;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 is sourced from PubChem (CID 163729723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).