1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone

C21H24N4O2 — CID 11291481

IUPAC1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone
SMILESCC(=O)N1C[C@@H](O)[C@H](NCc2ccccc2)c2ccn3c(C)c(C)nc3c21
InChIInChI=1S/C21H24N4O2/c1-13-14(2)24-10-9-17-19(22-11-16-7-5-4-6-8-16)18(27)12-25(15(3)26)20(17)21(24)23-13/h4-10,18-19,22,27H,11-12H2,1-3H3/t18-,19-/m1/s1
InChIKeyNVXVZLCBKDMTJC-RTBURBONSA-N
MW364.45 g/mol
LogP2.51
Rot. Bonds3

About 1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone

1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone (PubChem CID 11291481) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone.

Molecular Properties

Compound Name1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone
PubChem CID11291481
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone
SMILESCC(=O)N1C[C@@H](O)[C@H](NCc2ccccc2)c2ccn3c(C)c(C)nc3c21
InChIInChI=1S/C21H24N4O2/c1-13-14(2)24-10-9-17-19(22-11-16-7-5-4-6-8-16)18(27)12-25(15(3)26)20(17)21(24)23-13/h4-10,18-19,22,27H,11-12H2,1-3H3/t18-,19-/m1/s1
InChIKeyNVXVZLCBKDMTJC-RTBURBONSA-N
XLogP2.51
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone with MolForge

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Related Compounds

[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
(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-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 10150129
(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)-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
1-[3-(benzylamino)piperidin-1-yl]ethanone
CID 83993665
1-[(4R,5S)-4-(benzylamino)-5-methylazepan-1-yl]ethanone
CID 131729150
(3R,4S)-N,1-dibenzyl-3-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 101357683
1-[4-[4-[3-(benzylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone
CID 164835750
2-(4-chlorophenyl)-N-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)acetamide
CID 110735391
N-(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)-2-ethylbutanamide
CID 110735365
2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 150350313

Frequently Asked Questions

What is the IUPAC name of 1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone?
The IUPAC name of 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) is 1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone.
What is the SMILES notation for 1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone?
The canonical SMILES for 1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone is CC(=O)N1C[C@@H](O)[C@H](NCc2ccccc2)c2ccn3c(C)c(C)nc3c21.
What is the InChIKey of 1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone?
The InChIKey is NVXVZLCBKDMTJC-RTBURBONSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-14(2)24-10-9-17-19(22-11-16-7-5-4-6-8-16)18(27)12-25(15(3)26)20(17)21(24)23-13/h4-10,18-19,22,27H,11-12H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of 1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone?
1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone has a molecular weight of 364.45 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7R,8R)-7-(benzylamino)-8-hydroxy-2,3-dimethyl-8,9-dihydro-7H-imidazo[1,2-h][1,7]naphthyridin-10-yl]ethanone is sourced from PubChem (CID 11291481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).