(7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol

C20H23N3OS — CID 10150129

IUPAC(7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
SMILESCCS[C@H]1c2ccn3c(C)c(C)nc3c2N[C@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C20H23N3OS/c1-4-25-19-15-10-11-23-13(3)12(2)21-20(23)17(15)22-16(18(19)24)14-8-6-5-7-9-14/h5-11,16,18-19,22,24H,4H2,1-3H3/t16-,18-,19+/m1/s1
InChIKeyZIDBAWWZFPJMOA-QRQLOZEOSA-N
MW353.49 g/mol
LogP4.27
Rot. Bonds3

About (7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol

(7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol (PubChem CID 10150129) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is (7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol.

Molecular Properties

Compound Name(7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
PubChem CID10150129
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name(7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
SMILESCCS[C@H]1c2ccn3c(C)c(C)nc3c2N[C@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C20H23N3OS/c1-4-25-19-15-10-11-23-13(3)12(2)21-20(23)17(15)22-16(18(19)24)14-8-6-5-7-9-14/h5-11,16,18-19,22,24H,4H2,1-3H3/t16-,18-,19+/m1/s1
InChIKeyZIDBAWWZFPJMOA-QRQLOZEOSA-N
XLogP4.27
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol with MolForge

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Related Compounds

(8R,9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol
CID 58731364
(7S,8R,9R)-7-methoxy-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 10215154
(7S,8R,9R)-2,3-dimethyl-7-(2-methylsulfanylethoxy)-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 10237405
(7R,8R,9R)-2,3-dimethyl-9-phenyl-7-(trifluoromethoxy)-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 139935408
(7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 10194462
[(7S,8R,9R)-7-methoxy-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-yl] N,N-diethylcarbamate
CID 10224068
2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol
CID 10286449
[(7R,8R,9R)-7-methoxy-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-yl] methyl carbonate
CID 10193995
[(7R,8R,9R)-7-(2-methoxyethoxy)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-yl] 2-(2-hydroxyethoxy)acetate
CID 91364015
(10S,11R,12R)-10-butoxy-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol
CID 20825993
ethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine
CID 90960718
9-(2,4-dichlorophenyl)-2,3-dimethyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-7-ol
CID 143012831

Frequently Asked Questions

What is the IUPAC name of (7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol?
The IUPAC name of (7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol (CID 10150129) is (7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol.
What is the SMILES notation for (7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol?
The canonical SMILES for (7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol is CCS[C@H]1c2ccn3c(C)c(C)nc3c2N[C@H](c2ccccc2)[C@H]1O.
What is the InChIKey of (7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol?
The InChIKey is ZIDBAWWZFPJMOA-QRQLOZEOSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-4-25-19-15-10-11-23-13(3)12(2)21-20(23)17(15)22-16(18(19)24)14-8-6-5-7-9-14/h5-11,16,18-19,22,24H,4H2,1-3H3/t16-,18-,19+/m1/s1.
What are the key properties of (7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol?
(7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol has a molecular weight of 353.49 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol is sourced from PubChem (CID 10150129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).