5-[[(3R)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C48H40N8O6S2 — CID 163692202

IUPAC5-[[(3R)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)C[C@@H](c3ncc(-c5cccs5)[nH]3)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C[C@H](c3ncc(-c5cccs5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/2C24H20N4O3S/c2*29-22-6-4-17-20(7-8-25-24(17)28-22)31-16-3-5-19-14(11-16)10-15(13-30-19)23-26-12-18(27-23)21-2-1-9-32-21/h2*1-3,5,7-9,11-12,15H,4,6,10,13H2,(H,26,27)(H,25,28,29)/t2*15-/m10/s1
InChIKeyJTXNZCVTNJDQBX-ZWZQDMJTSA-N
MW889.03 g/mol
LogP9.86
Rot. Bonds8

About 5-[[(3R)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[(3R)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 163692202) has the molecular formula C48H40N8O6S2 and a molecular weight of 889.03 g/mol. Its IUPAC name is 5-[[(3R)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[(3R)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID163692202
Molecular FormulaC48H40N8O6S2
Molecular Weight889.03 g/mol
Exact Mass888.25
IUPAC Name5-[[(3R)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2c(Oc3ccc4c(c3)C[C@@H](c3ncc(-c5cccs5)[nH]3)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C[C@H](c3ncc(-c5cccs5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/2C24H20N4O3S/c2*29-22-6-4-17-20(7-8-25-24(17)28-22)31-16-3-5-19-14(11-16)10-15(13-30-19)23-26-12-18(27-23)21-2-1-9-32-21/h2*1-3,5,7-9,11-12,15H,4,6,10,13H2,(H,26,27)(H,25,28,29)/t2*15-/m10/s1
InChIKeyJTXNZCVTNJDQBX-ZWZQDMJTSA-N
XLogP9.86
TPSA178.26 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500889.03
LogP ≤ 59.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 5-[[(3R)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-thiophen-2-yl-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

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-thiophen-2-yl-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 5-[[(3R)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 163692202) is 5-[[(3R)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-thiophen-2-yl-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 5-[[(3R)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-thiophen-2-yl-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 5-[[(3R)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2c(Oc3ccc4c(c3)C[C@@H](c3ncc(-c5cccs5)[nH]3)CO4)ccnc2N1.O=C1CCc2c(Oc3ccc4c(c3)C[C@H](c3ncc(-c5cccs5)[nH]3)CO4)ccnc2N1.
What is the InChIKey of 5-[[(3R)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is JTXNZCVTNJDQBX-ZWZQDMJTSA-N. The full InChI is InChI=1S/2C24H20N4O3S/c2*29-22-6-4-17-20(7-8-25-24(17)28-22)31-16-3-5-19-14(11-16)10-15(13-30-19)23-26-12-18(27-23)21-2-1-9-32-21/h2*1-3,5,7-9,11-12,15H,4,6,10,13H2,(H,26,27)(H,25,28,29)/t2*15-/m10/s1.
What are the key properties of 5-[[(3R)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[(3R)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-thiophen-2-yl-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 889.03 g/mol, XLogP of 9.86, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-(5-thiophen-2-yl-1H-imidazol-2-yl)-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(3S)-3-(5-thiophen-2-yl-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 163692202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).