5-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(methylamino)-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;2,2,2-trifluoro-N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)acetamide

C99H87F3N18O11 — CID 157274729

IUPAC5-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(methylamino)-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;2,2,2-trifluoro-N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)acetamide
SMILESCNc1c(-c2cccnc2)cc2c3c1CCC(=O)N3CC2.Nc1c(-c2cccnc2)cc2c3c1CCC(=O)N3CC2.Nc1c(-c2cccnc2)cc2c3c1CCN3C(=O)CC2.O=C1CCc2c3c(cc(-c4cccnc4)c2[N+](=O)[O-])CCN13.O=C1CCc2cc(-c3cccnc3)c(NC(=O)C(F)(F)F)c3c2N1CC3.O=C1CCc2cc(-c3cccnc3)c([N+](=O)[O-])c3c2N1CC3
InChIInChI=1S/C18H14F3N3O2.C17H17N3O.2C16H13N3O3.2C16H15N3O/c19-18(20,21)17(26)23-15-12-5-7-24-14(25)4-3-10(16(12)24)8-13(15)11-2-1-6-22-9-11;1-18-16-13-4-5-15(21)20-8-6-11(17(13)20)9-14(16)12-3-2-7-19-10-12;20-14-4-3-12-15-10(5-7-18(14)15)8-13(16(12)19(21)22)11-2-1-6-17-9-11;20-14-4-3-10-8-13(11-2-1-6-17-9-11)16(19(21)22)12-5-7-18(14)15(10)12;17-15-12-3-4-14(20)19-7-5-10(16(12)19)8-13(15)11-2-1-6-18-9-11;17-15-12-5-7-19-14(20)4-3-10(16(12)19)8-13(15)11-2-1-6-18-9-11/h1-2,6,8-9H,3-5,7H2,(H,23,26);2-3,7,9-10,18H,4-6,8H2,1H3;2*1-2,6,8-9H,3-5,7H2;2*1-2,6,8-9H,3-5,7,17H2
InChIKeyAYYQSVOUAQXZPV-UHFFFAOYSA-N
MW1761.89 g/mol
LogP15.03
Rot. Bonds10

About 5-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(methylamino)-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;2,2,2-trifluoro-N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)acetamide

5-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(methylamino)-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;2,2,2-trifluoro-N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)acetamide (PubChem CID 157274729) has the molecular formula C99H87F3N18O11 and a molecular weight of 1761.89 g/mol. Its IUPAC name is 5-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(methylamino)-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;2,2,2-trifluoro-N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)acetamide.

Molecular Properties

Compound Name5-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(methylamino)-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;2,2,2-trifluoro-N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)acetamide
PubChem CID157274729
Molecular FormulaC99H87F3N18O11
Molecular Weight1761.89 g/mol
Exact Mass1760.68
IUPAC Name5-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(methylamino)-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;2,2,2-trifluoro-N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)acetamide
SMILESCNc1c(-c2cccnc2)cc2c3c1CCC(=O)N3CC2.Nc1c(-c2cccnc2)cc2c3c1CCC(=O)N3CC2.Nc1c(-c2cccnc2)cc2c3c1CCN3C(=O)CC2.O=C1CCc2c3c(cc(-c4cccnc4)c2[N+](=O)[O-])CCN13.O=C1CCc2cc(-c3cccnc3)c(NC(=O)C(F)(F)F)c3c2N1CC3.O=C1CCc2cc(-c3cccnc3)c([N+](=O)[O-])c3c2N1CC3
InChIInChI=1S/C18H14F3N3O2.C17H17N3O.2C16H13N3O3.2C16H15N3O/c19-18(20,21)17(26)23-15-12-5-7-24-14(25)4-3-10(16(12)24)8-13(15)11-2-1-6-22-9-11;1-18-16-13-4-5-15(21)20-8-6-11(17(13)20)9-14(16)12-3-2-7-19-10-12;20-14-4-3-12-15-10(5-7-18(14)15)8-13(16(12)19(21)22)11-2-1-6-17-9-11;20-14-4-3-10-8-13(11-2-1-6-17-9-11)16(19(21)22)12-5-7-18(14)15(10)12;17-15-12-3-4-14(20)19-7-5-10(16(12)19)8-13(15)11-2-1-6-18-9-11;17-15-12-5-7-19-14(20)4-3-10(16(12)19)8-13(15)11-2-1-6-18-9-11/h1-2,6,8-9H,3-5,7H2,(H,23,26);2-3,7,9-10,18H,4-6,8H2,1H3;2*1-2,6,8-9H,3-5,7H2;2*1-2,6,8-9H,3-5,7,17H2
InChIKeyAYYQSVOUAQXZPV-UHFFFAOYSA-N
XLogP15.03
TPSA378.65 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001761.89
LogP ≤ 515.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(methylamino)-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;2,2,2-trifluoro-N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)acetamide with MolForge

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Related Compounds

[(5R)-2,4-dimethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]-[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]methanone;methane;[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]-[(5R)-4-methylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]-[(8S)-2-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]-[(8S)-3-methylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]-[(8S)-2-phenylspiro[6,7-dihydro-5H-quinoline-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]-[(8R)-spiro[2,3,4,5,6,7-hexahydro-1H-acridine-8,4'-pyrrolidine]-3'-yl]methanone;[(2S,4R)-4-methyl-2-phenylpiperidin-1-yl]-[(5R)-4-(trifluoromethyl)spiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-yl]methanone
CID 158074730
6-(5-Fluoro-3-pyridinyl)-11lambda6-thia-1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene 11,11-dioxide;6-(5-fluoro-3-pyridinyl)-10-methyl-11lambda6-thia-1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene 11,11-dioxide;6-isoquinolin-4-yl-11lambda6-thia-1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene 11,11-dioxide;6-isoquinolin-4-yl-10-methyl-11lambda6-thia-1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene 11,11-dioxide;10-methyl-6-pyridin-3-yl-11lambda6-thia-1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene 11,11-dioxide;6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 159287662
(2R,8R)-2-(1H-indol-2-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione;(2R,8R)-2-(1H-indol-3-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione;(2S,8R)-6-methyl-2-(1-methylindol-2-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione;(2R,8R)-6-methyl-2-(1-methylindol-3-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 160010408
(3S,6S)-3-[(4-azidophenyl)methyl]-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione;(3S,6S)-3-benzyl-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione;(3S,6S)-3-benzyl-1-methyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione;(3S,6S)-3-benzyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione;(3S,6S)-3-[(2-fluorophenyl)methyl]-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione;(3S,6S)-3-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione;(3S,6S)-3-[(4-fluorophenyl)methyl]-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
CID 160154743
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-(1H-indol-3-yl)propan-1-one;1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;3-(6-fluoro-1H-indol-3-yl)-1-(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one;3-(1H-indol-3-yl)-1-(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one;3-(1H-indol-3-yl)-1-(3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one
CID 160281065
bis(1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)butan-1-one);bis(1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one);1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one;1-(4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinolin-1-yl)-3-(4-fluoro-1H-indol-3-yl)-4-methylpentan-1-one
CID 160578814
5-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-anilino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-7-yl)benzamide;N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)benzamide
CID 160739677
3-(2,6-dimethyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;2,2-dimethyl-1-[5-[4-(3-pyridin-3-ylpropanoyl)phenyl]-2,3-dihydroindol-1-yl]propan-1-one;N-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-N-(pyridin-3-ylmethyl)benzamide;3-(2-methyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;3-piperidin-3-yl-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 167574394

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(methylamino)-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;2,2,2-trifluoro-N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)acetamide?
The IUPAC name of 5-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(methylamino)-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;2,2,2-trifluoro-N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)acetamide (CID 157274729) is 5-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(methylamino)-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;2,2,2-trifluoro-N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)acetamide.
What is the SMILES notation for 5-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(methylamino)-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;2,2,2-trifluoro-N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)acetamide?
The canonical SMILES for 5-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(methylamino)-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;2,2,2-trifluoro-N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)acetamide is CNc1c(-c2cccnc2)cc2c3c1CCC(=O)N3CC2.Nc1c(-c2cccnc2)cc2c3c1CCC(=O)N3CC2.Nc1c(-c2cccnc2)cc2c3c1CCN3C(=O)CC2.O=C1CCc2c3c(cc(-c4cccnc4)c2[N+](=O)[O-])CCN13.O=C1CCc2cc(-c3cccnc3)c(NC(=O)C(F)(F)F)c3c2N1CC3.O=C1CCc2cc(-c3cccnc3)c([N+](=O)[O-])c3c2N1CC3.
What is the InChIKey of 5-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(methylamino)-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;2,2,2-trifluoro-N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)acetamide?
The InChIKey is AYYQSVOUAQXZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2.C17H17N3O.2C16H13N3O3.2C16H15N3O/c19-18(20,21)17(26)23-15-12-5-7-24-14(25)4-3-10(16(12)24)8-13(15)11-2-1-6-22-9-11;1-18-16-13-4-5-15(21)20-8-6-11(17(13)20)9-14(16)12-3-2-7-19-10-12;20-14-4-3-12-15-10(5-7-18(14)15)8-13(16(12)19(21)22)11-2-1-6-17-9-11;20-14-4-3-10-8-13(11-2-1-6-17-9-11)16(19(21)22)12-5-7-18(14)15(10)12;17-15-12-3-4-14(20)19-7-5-10(16(12)19)8-13(15)11-2-1-6-18-9-11;17-15-12-5-7-19-14(20)4-3-10(16(12)19)8-13(15)11-2-1-6-18-9-11/h1-2,6,8-9H,3-5,7H2,(H,23,26);2-3,7,9-10,18H,4-6,8H2,1H3;2*1-2,6,8-9H,3-5,7H2;2*1-2,6,8-9H,3-5,7,17H2.
What are the key properties of 5-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(methylamino)-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;2,2,2-trifluoro-N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)acetamide?
5-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(methylamino)-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;2,2,2-trifluoro-N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)acetamide has a molecular weight of 1761.89 g/mol, XLogP of 15.03, 10 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-amino-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;7-(methylamino)-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;5-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one;7-nitro-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one;2,2,2-trifluoro-N-(11-oxo-6-pyridin-3-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-5-yl)acetamide is sourced from PubChem (CID 157274729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).