7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid

C79H85N15O13 — CID 159746788

IUPAC7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid
SMILESCC(=O)c1nc(CC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)cn1C.CC1(C)CNC(=O)c2cc3ccc(C(=O)O)cc3n21.Cn1cc(CC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)nc1C(=O)NC(C)(C)C.Cn1cc(CC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)nc1C(=O)O
InChIInChI=1S/C24H29N5O3.C21H22N4O3.C20H20N4O4.C14H14N2O3/c1-23(2,3)27-22(32)20-26-16(12-28(20)6)11-19(30)15-8-7-14-9-18-21(31)25-13-24(4,5)29(18)17(14)10-15;1-12(26)19-23-15(10-24(19)4)9-18(27)14-6-5-13-7-17-20(28)22-11-21(2,3)25(17)16(13)8-14;1-20(2)10-21-18(26)15-6-11-4-5-12(7-14(11)24(15)20)16(25)8-13-9-23(3)17(22-13)19(27)28;1-14(2)7-15-12(17)11-5-8-3-4-9(13(18)19)6-10(8)16(11)14/h7-10,12H,11,13H2,1-6H3,(H,25,31)(H,27,32);5-8,10H,9,11H2,1-4H3,(H,22,28);4-7,9H,8,10H2,1-3H3,(H,21,26)(H,27,28);3-6H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNDDGINWATIGJHU-UHFFFAOYSA-N
MW1452.64 g/mol
LogP9.08
Rot. Bonds13

About 7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid

7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid (PubChem CID 159746788) has the molecular formula C79H85N15O13 and a molecular weight of 1452.64 g/mol. Its IUPAC name is 7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid.

Molecular Properties

Compound Name7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid
PubChem CID159746788
Molecular FormulaC79H85N15O13
Molecular Weight1452.64 g/mol
Exact Mass1451.65
IUPAC Name7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid
SMILESCC(=O)c1nc(CC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)cn1C.CC1(C)CNC(=O)c2cc3ccc(C(=O)O)cc3n21.Cn1cc(CC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)nc1C(=O)NC(C)(C)C.Cn1cc(CC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)nc1C(=O)O
InChIInChI=1S/C24H29N5O3.C21H22N4O3.C20H20N4O4.C14H14N2O3/c1-23(2,3)27-22(32)20-26-16(12-28(20)6)11-19(30)15-8-7-14-9-18-21(31)25-13-24(4,5)29(18)17(14)10-15;1-12(26)19-23-15(10-24(19)4)9-18(27)14-6-5-13-7-17-20(28)22-11-21(2,3)25(17)16(13)8-14;1-20(2)10-21-18(26)15-6-11-4-5-12(7-14(11)24(15)20)16(25)8-13-9-23(3)17(22-13)19(27)28;1-14(2)7-15-12(17)11-5-8-3-4-9(13(18)19)6-10(8)16(11)14/h7-10,12H,11,13H2,1-6H3,(H,25,31)(H,27,32);5-8,10H,9,11H2,1-4H3,(H,22,28);4-7,9H,8,10H2,1-3H3,(H,21,26)(H,27,28);3-6H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNDDGINWATIGJHU-UHFFFAOYSA-N
XLogP9.08
TPSA361.56 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001452.64
LogP ≤ 59.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze 7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid with MolForge

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Related Compounds

N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157817282
N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;5-[2-[(1S)-1-[2-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]propanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158365441
N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158488568
(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160040955
2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;(2S)-N,N-dimethyl-2-[1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide;(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide
CID 160872073
2-(2-acetyl-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;2-[2-(hydroxymethyl)-4-pyridinyl]-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-propanoyl-2-pyridinyl)benzimidazole-5-carboxamide;N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[3-(trifluoromethyl)-4-pyridinyl]benzimidazole-5-carboxamide
CID 161132258
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 161140538
4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(4-methyl-2-pyridinyl)benzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone
CID 161209122
4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone
CID 161242424
4-[3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]-8-(hydroxymethyl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(fluoromethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]ethanone
CID 161434510
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]ethyl]indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 162040701
3-ethyl-N-(5-isocyano-1H-imidazol-4-yl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(3-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(4-methylphenyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;3-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide;4-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one;8-[3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carbonyl]-1-phenyl-1,8-diazaspiro[4.5]decan-4-one
CID 167645993

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid?
The IUPAC name of 7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid (CID 159746788) is 7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid.
What is the SMILES notation for 7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid?
The canonical SMILES for 7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid is CC(=O)c1nc(CC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)cn1C.CC1(C)CNC(=O)c2cc3ccc(C(=O)O)cc3n21.Cn1cc(CC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)nc1C(=O)NC(C)(C)C.Cn1cc(CC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)nc1C(=O)O.
What is the InChIKey of 7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid?
The InChIKey is NDDGINWATIGJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3.C21H22N4O3.C20H20N4O4.C14H14N2O3/c1-23(2,3)27-22(32)20-26-16(12-28(20)6)11-19(30)15-8-7-14-9-18-21(31)25-13-24(4,5)29(18)17(14)10-15;1-12(26)19-23-15(10-24(19)4)9-18(27)14-6-5-13-7-17-20(28)22-11-21(2,3)25(17)16(13)8-14;1-20(2)10-21-18(26)15-6-11-4-5-12(7-14(11)24(15)20)16(25)8-13-9-23(3)17(22-13)19(27)28;1-14(2)7-15-12(17)11-5-8-3-4-9(13(18)19)6-10(8)16(11)14/h7-10,12H,11,13H2,1-6H3,(H,25,31)(H,27,32);5-8,10H,9,11H2,1-4H3,(H,22,28);4-7,9H,8,10H2,1-3H3,(H,21,26)(H,27,28);3-6H,7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid?
7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid has a molecular weight of 1452.64 g/mol, XLogP of 9.08, 13 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid is sourced from PubChem (CID 159746788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).