[(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

C21H23N3O4 — CID 10193995

IUPAC[(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
SMILESCOC(=O)O[C@@H]1[C@@H](c2ccccc2)Nc2c(ccn3c(C)c(C)nc23)[C@H]1OC
InChIInChI=1S/C21H23N3O4/c1-12-13(2)24-11-10-15-17(20(24)22-12)23-16(14-8-6-5-7-9-14)19(18(15)26-3)28-21(25)27-4/h5-11,16,18-19,23H,1-4H3/t16-,18-,19-/m1/s1
InChIKeyPQYOFNTUPBMMJT-BHIYHBOVSA-N
MW381.43 g/mol
LogP3.96
Rot. Bonds3

About [(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

[(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 (PubChem CID 10193995) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID10193995
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name[(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
SMILESCOC(=O)O[C@@H]1[C@@H](c2ccccc2)Nc2c(ccn3c(C)c(C)nc23)[C@H]1OC
InChIInChI=1S/C21H23N3O4/c1-12-13(2)24-11-10-15-17(20(24)22-12)23-16(14-8-6-5-7-9-14)19(18(15)26-3)28-21(25)27-4/h5-11,16,18-19,23H,1-4H3/t16-,18-,19-/m1/s1
InChIKeyPQYOFNTUPBMMJT-BHIYHBOVSA-N
XLogP3.96
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(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 with MolForge

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Related Compounds

[(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
(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
[(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
(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
(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
(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)-2,3-dimethyl-7-(2-methylsulfanylethoxy)-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 10237405
(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
2,3-dimethyl-7-propoxy-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 142676199
2,3-dimethyl-9-thiophen-3-yl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol
CID 10286449
N,2,3-trimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-6-carboxamide
CID 11359568
[10-acetyl-2,3-dimethyl-9-phenyl-7-(1,1,2,2-tetradeuterio-2-methoxyethoxy)-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-8-yl] 2,2-dimethylpropanoate
CID 87757200

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is COC(=O)O[C@@H]1[C@@H](c2ccccc2)Nc2c(ccn3c(C)c(C)nc23)[C@H]1OC.
What is the InChIKey of [(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?
The InChIKey is PQYOFNTUPBMMJT-BHIYHBOVSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-12-13(2)24-11-10-15-17(20(24)22-12)23-16(14-8-6-5-7-9-14)19(18(15)26-3)28-21(25)27-4/h5-11,16,18-19,23H,1-4H3/t16-,18-,19-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 381.43 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 10193995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).