[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

C28H35N3O5 — CID 87757200

IUPAC[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
SMILES[2H]C([2H])(OC)C([2H])([2H])OC1c2ccn3c(C)c(C)nc3c2N(C(C)=O)C(c2ccccc2)C1OC(=O)C(C)(C)C
InChIInChI=1S/C28H35N3O5/c1-17-18(2)30-14-13-21-23(26(30)29-17)31(19(3)32)22(20-11-9-8-10-12-20)25(24(21)35-16-15-34-7)36-27(33)28(4,5)6/h8-14,22,24-25H,15-16H2,1-7H3/i15D2,16D2
InChIKeyDIHUBPBLCYJYKO-ONNKGWAKSA-N
MW497.63 g/mol
LogP4.72
Rot. Bonds6

About [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

[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 (PubChem CID 87757200) has the molecular formula C28H35N3O5 and a molecular weight of 497.63 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID87757200
Molecular FormulaC28H35N3O5
Molecular Weight497.63 g/mol
Exact Mass497.28
IUPAC Name[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
SMILES[2H]C([2H])(OC)C([2H])([2H])OC1c2ccn3c(C)c(C)nc3c2N(C(C)=O)C(c2ccccc2)C1OC(=O)C(C)(C)C
InChIInChI=1S/C28H35N3O5/c1-17-18(2)30-14-13-21-23(26(30)29-17)31(19(3)32)22(20-11-9-8-10-12-20)25(24(21)35-16-15-34-7)36-27(33)28(4,5)6/h8-14,22,24-25H,15-16H2,1-7H3/i15D2,16D2
InChIKeyDIHUBPBLCYJYKO-ONNKGWAKSA-N
XLogP4.72
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.63
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [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 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

[(10S,11R,12R)-10-cyclopropyl-10-hydroxy-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-yl] 2,2-dimethylpropanoate
CID 69164745
(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
[(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
1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone
CID 11291481
[(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-[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-ol
CID 10215154
2,3-dimethyl-7-propoxy-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 142676199
(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
(12R)-5-chloro-10-ethyl-10-methoxy-4-methyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol
CID 24985481
(12R)-10-ethenyl-10-methoxy-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 24984632
(10S,11R,12R)-10-cyclopropyl-4,5-dimethyl-12-phenyl-10-(2,2,2-trifluoroethoxy)-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol
CID 24986146

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is [2H]C([2H])(OC)C([2H])([2H])OC1c2ccn3c(C)c(C)nc3c2N(C(C)=O)C(c2ccccc2)C1OC(=O)C(C)(C)C.
What is the InChIKey of [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?
The InChIKey is DIHUBPBLCYJYKO-ONNKGWAKSA-N. The full InChI is InChI=1S/C28H35N3O5/c1-17-18(2)30-14-13-21-23(26(30)29-17)31(19(3)32)22(20-11-9-8-10-12-20)25(24(21)35-16-15-34-7)36-27(33)28(4,5)6/h8-14,22,24-25H,15-16H2,1-7H3/i15D2,16D2.
What are the key properties of [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?
[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 has a molecular weight of 497.63 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 87757200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).