8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide

C93H94N20O7S2 — CID 167615418

IUPAC8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2c3n(c4cccnc24)CCN(C2CC2)C3=O)c1.Cc1ccc(-c2c3n(c4nccnc24)CCN(C2CC2)C3=O)cn1.Cc1cccnc1-c1c2n(c3cccnc13)CCN(C1CC1)C2=O.Cc1csc(-c2c3n(c4cccnc24)CCN(C2CC2)C3=O)n1.O=C1c2c(C3CCCC3)c3ncccc3n2CCN1C1CC1
InChIInChI=1S/C21H22N4O3S.C19H18N4O.C18H17N5O.C18H21N3O.C17H16N4OS/c1-23(2)29(27,28)16-6-3-5-14(13-16)18-19-17(7-4-10-22-19)25-12-11-24(15-8-9-15)21(26)20(18)25;1-12-4-2-8-20-16(12)15-17-14(5-3-9-21-17)23-11-10-22(13-6-7-13)19(24)18(15)23;1-11-2-3-12(10-21-11)14-15-17(20-7-6-19-15)23-9-8-22(13-4-5-13)18(24)16(14)23;22-18-17-15(12-4-1-2-5-12)16-14(6-3-9-19-16)21(17)11-10-20(18)13-7-8-13;1-10-9-23-16(19-10)13-14-12(3-2-6-18-14)21-8-7-20(11-4-5-11)17(22)15(13)21/h3-7,10,13,15H,8-9,11-12H2,1-2H3;2-5,8-9,13H,6-7,10-11H2,1H3;2-3,6-7,10,13H,4-5,8-9H2,1H3;3,6,9,12-13H,1-2,4-5,7-8,10-11H2;2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyLQZIZTIUTZCGTN-UHFFFAOYSA-N
MW1668.04 g/mol
LogP14.42
Rot. Bonds12

About 8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide

8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 167615418) has the molecular formula C93H94N20O7S2 and a molecular weight of 1668.04 g/mol. Its IUPAC name is 8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID167615418
Molecular FormulaC93H94N20O7S2
Molecular Weight1668.04 g/mol
Exact Mass1666.71
IUPAC Name8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2c3n(c4cccnc24)CCN(C2CC2)C3=O)c1.Cc1ccc(-c2c3n(c4nccnc24)CCN(C2CC2)C3=O)cn1.Cc1cccnc1-c1c2n(c3cccnc13)CCN(C1CC1)C2=O.Cc1csc(-c2c3n(c4cccnc24)CCN(C2CC2)C3=O)n1.O=C1c2c(C3CCCC3)c3ncccc3n2CCN1C1CC1
InChIInChI=1S/C21H22N4O3S.C19H18N4O.C18H17N5O.C18H21N3O.C17H16N4OS/c1-23(2)29(27,28)16-6-3-5-14(13-16)18-19-17(7-4-10-22-19)25-12-11-24(15-8-9-15)21(26)20(18)25;1-12-4-2-8-20-16(12)15-17-14(5-3-9-21-17)23-11-10-22(13-6-7-13)19(24)18(15)23;1-11-2-3-12(10-21-11)14-15-17(20-7-6-19-15)23-9-8-22(13-4-5-13)18(24)16(14)23;22-18-17-15(12-4-1-2-5-12)16-14(6-3-9-19-16)21(17)11-10-20(18)13-7-8-13;1-10-9-23-16(19-10)13-14-12(3-2-6-18-14)21-8-7-20(11-4-5-11)17(22)15(13)21/h3-7,10,13,15H,8-9,11-12H2,1-2H3;2-5,8-9,13H,6-7,10-11H2,1H3;2-3,6-7,10,13H,4-5,8-9H2,1H3;3,6,9,12-13H,1-2,4-5,7-8,10-11H2;2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyLQZIZTIUTZCGTN-UHFFFAOYSA-N
XLogP14.42
TPSA279.59 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001668.04
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

2-[6-[5-Cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[5-cyclopropyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[6-[7-(difluoromethylsulfinyl)imidazo[1,2-c]pyrimidin-2-yl]-5-ethylsulfonyl-3-pyridinyl]-2-methylpropanenitrile;2-[3-ethylsulfonyl-4-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-methylpropanenitrile;2-[3-ethylsulfonyl-4-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]phenyl]-2-methylpropanenitrile
CID 162186618
7-(carbamothioylamino)-N,N-dicyclopropyl-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide;N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(4-methyl-1,3-thiazol-2-yl)amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
CID 88005005
N,N-dicyclopropyl-7-[[5-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
CID 140219864
[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 157223866
(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(7-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-(1,1-dioxothian-4-yl)-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-piperidin-4-ylethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-2-oxo-2-[2-(7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidin-1-yl]-1-pyridin-3-ylethyl]propanamide
CID 157423677
N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(1,3-dihydroisoindol-2-yl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 157460921
4-cyclohexyl-1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]butan-1-one;1-[1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]propan-2-one;N-[(3R)-1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide;N-[(3S)-1-[5-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide;1-[5-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-4-(4-methylsulfonylphenyl)butan-1-one;(3R)-1-[2-methyl-5-[[(1S)-1-phenylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-3-pyridin-3-ylbutan-1-one
CID 157815329
2-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;methane;2-(5-methylsulfanyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfinyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(5-methylsulfonyl-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-phenyl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 158949367
N-(1-bicyclo[1.1.1]pentanyl)-3-methylimidazo[1,5-a]pyridin-1-amine;N-tert-butyl-3-methylimidazo[1,5-a]pyridin-1-amine;N-cyclopropyl-3-methylimidazo[1,5-a]pyridin-1-amine;N-(cyclopropylmethyl)-3-methylimidazo[1,5-a]pyridin-1-amine;N,3-dimethylimidazo[1,5-a]pyridin-1-amine;N-ethyl-3-methylimidazo[1,5-a]pyridin-1-amine;imino-methyl-(3-methylimidazo[1,5-a]pyridin-1-yl)-oxo-lambda6-sulfane;3-methylimidazo[1,5-a]pyridine-1-sulfonamide;N-(3-methylimidazo[1,5-a]pyridin-1-yl)acetamide;N-(3-methylimidazo[1,5-a]pyridin-1-yl)methanesulfonamide;N-(3-methylimidazo[1,5-a]pyridin-1-yl)-1,3-thiazol-2-amine;1-methylindole-3-carboxamide;3-methyl-N-propan-2-ylimidazo[1,5-a]pyridin-1-amine;3-methyl-N-(trideuteriomethyl)imidazo[1,5-a]pyridin-1-amine
CID 159098004
N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;bis(N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide)
CID 159496695
N-(2-aminophenyl)-5-[[4-(5-cyclopropylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-(7-cyclopropylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-(8-cyclopropylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[5-(cyclopropylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[6-(cyclopropylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide
CID 159619956
4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N-(2-hydroxyethyl)benzamide;2-butylsulfinyl-4-(2-cyclopropyl-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(2-methoxyethylsulfinyl)-4-(3-methyl-2-propan-2-ylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 160292590

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide (CID 167615418) is 8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(-c2c3n(c4cccnc24)CCN(C2CC2)C3=O)c1.Cc1ccc(-c2c3n(c4nccnc24)CCN(C2CC2)C3=O)cn1.Cc1cccnc1-c1c2n(c3cccnc13)CCN(C1CC1)C2=O.Cc1csc(-c2c3n(c4cccnc24)CCN(C2CC2)C3=O)n1.O=C1c2c(C3CCCC3)c3ncccc3n2CCN1C1CC1.
What is the InChIKey of 8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is LQZIZTIUTZCGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S.C19H18N4O.C18H17N5O.C18H21N3O.C17H16N4OS/c1-23(2)29(27,28)16-6-3-5-14(13-16)18-19-17(7-4-10-22-19)25-12-11-24(15-8-9-15)21(26)20(18)25;1-12-4-2-8-20-16(12)15-17-14(5-3-9-21-17)23-11-10-22(13-6-7-13)19(24)18(15)23;1-11-2-3-12(10-21-11)14-15-17(20-7-6-19-15)23-9-8-22(13-4-5-13)18(24)16(14)23;22-18-17-15(12-4-1-2-5-12)16-14(6-3-9-19-16)21(17)11-10-20(18)13-7-8-13;1-10-9-23-16(19-10)13-14-12(3-2-6-18-14)21-8-7-20(11-4-5-11)17(22)15(13)21/h3-7,10,13,15H,8-9,11-12H2,1-2H3;2-5,8-9,13H,6-7,10-11H2,1H3;2-3,6-7,10,13H,4-5,8-9H2,1H3;3,6,9,12-13H,1-2,4-5,7-8,10-11H2;2-3,6,9,11H,4-5,7-8H2,1H3.
What are the key properties of 8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide?
8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 1668.04 g/mol, XLogP of 14.42, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-11-cyclopropyl-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(6-methyl-3-pyridinyl)-1,3,6,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one;11-cyclopropyl-8-(3-methyl-2-pyridinyl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;11-cyclopropyl-8-(4-methyl-1,3-thiazol-2-yl)-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-10-one;3-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 167615418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).