[(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)methanone;(8R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol;(8R)-8-hydroxy-2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate;2,3,8-trimethylimidazo[1,2-a]pyridine

C81H88N10O11 — CID 91304654

IUPAC[(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)methanone;(8R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol;(8R)-8-hydroxy-2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate;2,3,8-trimethylimidazo[1,2-a]pyridine
SMILESCOC(=O)C1OC(C)(C)OC1c1ccccc1.Cc1nc2c(C)c(C(=O)C3OC(C)(C)O[C@H]3c3ccccc3)ccn2c1C.Cc1nc2c(C)cccn2c1C.Cc1nc2c3c(ccn2c1C)C(=O)[C@H](O)C(c1ccccc1)N3.Cc1nc2c3c(ccn2c1C)C(O)[C@H](O)C(c1ccccc1)N3
InChIInChI=1S/C22H24N2O3.C18H19N3O2.C18H17N3O2.C13H16O4.C10H12N2/c1-13-17(11-12-24-15(3)14(2)23-21(13)24)18(25)20-19(26-22(4,5)27-20)16-9-7-6-8-10-16;2*1-10-11(2)21-9-8-13-15(18(21)19-10)20-14(17(23)16(13)22)12-6-4-3-5-7-12;1-13(2)16-10(9-7-5-4-6-8-9)11(17-13)12(14)15-3;1-7-5-4-6-12-9(3)8(2)11-10(7)12/h6-12,19-20H,1-5H3;3-9,14,16-17,20,22-23H,1-2H3;3-9,14,17,20,23H,1-2H3;4-8,10-11H,1-3H3;4-6H,1-3H3/t19-,20?;14?,16?,17-;14?,17-;;/m011../s1
InChIKeyACFSRQRTIFEZHJ-SVZNDNKVSA-N
MW1377.65 g/mol
LogP13.82
Rot. Bonds7

About [(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)methanone;(8R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol;(8R)-8-hydroxy-2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate;2,3,8-trimethylimidazo[1,2-a]pyridine

[(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)methanone;(8R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol;(8R)-8-hydroxy-2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate;2,3,8-trimethylimidazo[1,2-a]pyridine (PubChem CID 91304654) has the molecular formula C81H88N10O11 and a molecular weight of 1377.65 g/mol. Its IUPAC name is [(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)methanone;(8R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol;(8R)-8-hydroxy-2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate;2,3,8-trimethylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name[(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)methanone;(8R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol;(8R)-8-hydroxy-2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate;2,3,8-trimethylimidazo[1,2-a]pyridine
PubChem CID91304654
Molecular FormulaC81H88N10O11
Molecular Weight1377.65 g/mol
Exact Mass1376.66
IUPAC Name[(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)methanone;(8R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol;(8R)-8-hydroxy-2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate;2,3,8-trimethylimidazo[1,2-a]pyridine
SMILESCOC(=O)C1OC(C)(C)OC1c1ccccc1.Cc1nc2c(C)c(C(=O)C3OC(C)(C)O[C@H]3c3ccccc3)ccn2c1C.Cc1nc2c(C)cccn2c1C.Cc1nc2c3c(ccn2c1C)C(=O)[C@H](O)C(c1ccccc1)N3.Cc1nc2c3c(ccn2c1C)C(O)[C@H](O)C(c1ccccc1)N3
InChIInChI=1S/C22H24N2O3.C18H19N3O2.C18H17N3O2.C13H16O4.C10H12N2/c1-13-17(11-12-24-15(3)14(2)23-21(13)24)18(25)20-19(26-22(4,5)27-20)16-9-7-6-8-10-16;2*1-10-11(2)21-9-8-13-15(18(21)19-10)20-14(17(23)16(13)22)12-6-4-3-5-7-12;1-13(2)16-10(9-7-5-4-6-8-9)11(17-13)12(14)15-3;1-7-5-4-6-12-9(3)8(2)11-10(7)12/h6-12,19-20H,1-5H3;3-9,14,16-17,20,22-23H,1-2H3;3-9,14,17,20,23H,1-2H3;4-8,10-11H,1-3H3;4-6H,1-3H3/t19-,20?;14?,16?,17-;14?,17-;;/m011../s1
InChIKeyACFSRQRTIFEZHJ-SVZNDNKVSA-N
XLogP13.82
TPSA251.31 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds7
Heavy Atoms102
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001377.65
LogP ≤ 513.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze [(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)methanone;(8R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol;(8R)-8-hydroxy-2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate;2,3,8-trimethylimidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)methanone;(8R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol;(8R)-8-hydroxy-2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate;2,3,8-trimethylimidazo[1,2-a]pyridine?
The IUPAC name of [(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)methanone;(8R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol;(8R)-8-hydroxy-2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate;2,3,8-trimethylimidazo[1,2-a]pyridine (CID 91304654) is [(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)methanone;(8R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol;(8R)-8-hydroxy-2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate;2,3,8-trimethylimidazo[1,2-a]pyridine.
What is the SMILES notation for [(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)methanone;(8R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol;(8R)-8-hydroxy-2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate;2,3,8-trimethylimidazo[1,2-a]pyridine?
The canonical SMILES for [(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)methanone;(8R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol;(8R)-8-hydroxy-2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate;2,3,8-trimethylimidazo[1,2-a]pyridine is COC(=O)C1OC(C)(C)OC1c1ccccc1.Cc1nc2c(C)c(C(=O)C3OC(C)(C)O[C@H]3c3ccccc3)ccn2c1C.Cc1nc2c(C)cccn2c1C.Cc1nc2c3c(ccn2c1C)C(=O)[C@H](O)C(c1ccccc1)N3.Cc1nc2c3c(ccn2c1C)C(O)[C@H](O)C(c1ccccc1)N3.
What is the InChIKey of [(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)methanone;(8R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol;(8R)-8-hydroxy-2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate;2,3,8-trimethylimidazo[1,2-a]pyridine?
The InChIKey is ACFSRQRTIFEZHJ-SVZNDNKVSA-N. The full InChI is InChI=1S/C22H24N2O3.C18H19N3O2.C18H17N3O2.C13H16O4.C10H12N2/c1-13-17(11-12-24-15(3)14(2)23-21(13)24)18(25)20-19(26-22(4,5)27-20)16-9-7-6-8-10-16;2*1-10-11(2)21-9-8-13-15(18(21)19-10)20-14(17(23)16(13)22)12-6-4-3-5-7-12;1-13(2)16-10(9-7-5-4-6-8-9)11(17-13)12(14)15-3;1-7-5-4-6-12-9(3)8(2)11-10(7)12/h6-12,19-20H,1-5H3;3-9,14,16-17,20,22-23H,1-2H3;3-9,14,17,20,23H,1-2H3;4-8,10-11H,1-3H3;4-6H,1-3H3/t19-,20?;14?,16?,17-;14?,17-;;/m011../s1.
What are the key properties of [(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)methanone;(8R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol;(8R)-8-hydroxy-2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate;2,3,8-trimethylimidazo[1,2-a]pyridine?
[(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)methanone;(8R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol;(8R)-8-hydroxy-2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate;2,3,8-trimethylimidazo[1,2-a]pyridine has a molecular weight of 1377.65 g/mol, XLogP of 13.82, 7 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-(2,3,8-trimethylimidazo[1,2-a]pyridin-7-yl)methanone;(8R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol;(8R)-8-hydroxy-2,3-dimethyl-9-phenyl-9,10-dihydro-8H-imidazo[1,2-h][1,7]naphthyridin-7-one;methyl 2,2-dimethyl-5-phenyl-1,3-dioxolane-4-carboxylate;2,3,8-trimethylimidazo[1,2-a]pyridine is sourced from PubChem (CID 91304654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).