4-(5-ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide

C90H83N27O8S4 — CID 158665555

IUPAC4-(5-ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCc1[nH]nc2c1c(N1CCS(=O)(=O)CC1)nc1c(-c3cnc4ccccc4c3)cnn12.Cc1[nH]nc2c1c(C1CCS(=O)(=O)CC1)nc1c(-c3ccc(-c4ccccc4)nc3)cnn12.Cc1[nH]nc2c1c(C1CCS(=O)(=O)CC1)nc1c(-c3ccc(-c4cccnc4)nc3)cnn12.Cc1[nH]nc2c1c(N1CCS(=O)(=O)CC1)nc1c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H22N6O2S.C23H21N7O2S.C22H21N7O2S.C21H19N7O2S/c1-15-21-22(17-9-11-33(31,32)12-10-17)27-23-19(14-26-30(23)24(21)29-28-15)18-7-8-20(25-13-18)16-5-3-2-4-6-16;1-14-20-21(15-6-9-33(31,32)10-7-15)27-22-18(13-26-30(22)23(20)29-28-14)16-4-5-19(25-12-16)17-3-2-8-24-11-17;1-2-17-19-21(28-7-9-32(30,31)10-8-28)25-20-16(13-24-29(20)22(19)27-26-17)15-11-14-5-3-4-6-18(14)23-12-15;1-13-18-20(27-6-8-31(29,30)9-7-27)24-19-16(12-23-28(19)21(18)26-25-13)15-10-14-4-2-3-5-17(14)22-11-15/h2-8,13-14,17H,9-12H2,1H3,(H,28,29);2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,28,29);3-6,11-13H,2,7-10H2,1H3,(H,26,27);2-5,10-12H,6-9H2,1H3,(H,25,26)
InChIKeyIDHOQNXYCZBVTN-UHFFFAOYSA-N
MW1799.10 g/mol
LogP12.25
Rot. Bonds11

About 4-(5-ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide

4-(5-ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 158665555) has the molecular formula C90H83N27O8S4 and a molecular weight of 1799.10 g/mol. Its IUPAC name is 4-(5-ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(5-ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID158665555
Molecular FormulaC90H83N27O8S4
Molecular Weight1799.10 g/mol
Exact Mass1797.58
IUPAC Name4-(5-ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide
SMILESCCc1[nH]nc2c1c(N1CCS(=O)(=O)CC1)nc1c(-c3cnc4ccccc4c3)cnn12.Cc1[nH]nc2c1c(C1CCS(=O)(=O)CC1)nc1c(-c3ccc(-c4ccccc4)nc3)cnn12.Cc1[nH]nc2c1c(C1CCS(=O)(=O)CC1)nc1c(-c3ccc(-c4cccnc4)nc3)cnn12.Cc1[nH]nc2c1c(N1CCS(=O)(=O)CC1)nc1c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H22N6O2S.C23H21N7O2S.C22H21N7O2S.C21H19N7O2S/c1-15-21-22(17-9-11-33(31,32)12-10-17)27-23-19(14-26-30(23)24(21)29-28-15)18-7-8-20(25-13-18)16-5-3-2-4-6-16;1-14-20-21(15-6-9-33(31,32)10-7-15)27-22-18(13-26-30(22)23(20)29-28-14)16-4-5-19(25-12-16)17-3-2-8-24-11-17;1-2-17-19-21(28-7-9-32(30,31)10-8-28)25-20-16(13-24-29(20)22(19)27-26-17)15-11-14-5-3-4-6-18(14)23-12-15;1-13-18-20(27-6-8-31(29,30)9-7-27)24-19-16(12-23-28(19)21(18)26-25-13)15-10-14-4-2-3-5-17(14)22-11-15/h2-8,13-14,17H,9-12H2,1H3,(H,28,29);2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,28,29);3-6,11-13H,2,7-10H2,1H3,(H,26,27);2-5,10-12H,6-9H2,1H3,(H,25,26)
InChIKeyIDHOQNXYCZBVTN-UHFFFAOYSA-N
XLogP12.25
TPSA442.97 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds11
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001799.10
LogP ≤ 512.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze 4-(5-ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide with MolForge

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Launch Full Analysis

Related Compounds

US10730877, Example 781
CID 138686725
US10730877, Example 770
CID 138725459
4-[10-(6-Fluoroquinolin-3-yl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]thiane 1,1-dioxide
CID 135998719
4-[10-(6-Fluoroquinolin-3-yl)-5-methyl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide
CID 135998720
N-[[3-fluoro-5-[2-[5-[5-[[3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]phenyl]methyl]methanesulfonamide
CID 137117819
2-(3-Ethylsulfonyl-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3,6-dimethylimidazo[4,5-c]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3,6-dimethylimidazo[4,5-c]pyridine;2-(3-ethylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3,6-dimethylimidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3,6-dimethylimidazo[4,5-c]pyridine;2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,6-dimethylimidazo[4,5-b]pyridine;2-[3-ethylsulfonyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,6-dimethylimidazo[4,5-c]pyridine
CID 157319668
Bis(6-(difluoromethyl)-3-[6-[4,4-difluoro-3-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine);[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]phenyl]imino-dimethyl-oxo-lambda6-sulfane;[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]phenyl]methylimino-dimethyl-oxo-lambda6-sulfane;[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]phenyl]methyl-imino-methyl-oxo-lambda6-sulfane
CID 157927147
3,6-Bis(ethylsulfanyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;3,6-bis(ethylsulfonyl)-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,8-naphthyridine;4-ethylsulfanyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]cinnoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline
CID 158798804
5-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(2-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-[3-(methylsulfonylmethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine
CID 161878075
5-(1,1-Dioxothian-4-yl)-6-pyridin-2-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 68072208
5-(3-Methylsulfonylpiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 68074687
5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-2-methylpyrazolo[1,5-c]quinazoline;2-methyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]pyrazolo[1,5-c]quinazoline;2-methyl-5-(quinolin-2-ylmethylsulfanyl)pyrazolo[1,5-c]quinazoline
CID 87097933

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(5-ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide (CID 158665555) is 4-(5-ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(5-ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(5-ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide is CCc1[nH]nc2c1c(N1CCS(=O)(=O)CC1)nc1c(-c3cnc4ccccc4c3)cnn12.Cc1[nH]nc2c1c(C1CCS(=O)(=O)CC1)nc1c(-c3ccc(-c4ccccc4)nc3)cnn12.Cc1[nH]nc2c1c(C1CCS(=O)(=O)CC1)nc1c(-c3ccc(-c4cccnc4)nc3)cnn12.Cc1[nH]nc2c1c(N1CCS(=O)(=O)CC1)nc1c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 4-(5-ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is IDHOQNXYCZBVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S.C23H21N7O2S.C22H21N7O2S.C21H19N7O2S/c1-15-21-22(17-9-11-33(31,32)12-10-17)27-23-19(14-26-30(23)24(21)29-28-15)18-7-8-20(25-13-18)16-5-3-2-4-6-16;1-14-20-21(15-6-9-33(31,32)10-7-15)27-22-18(13-26-30(22)23(20)29-28-14)16-4-5-19(25-12-16)17-3-2-8-24-11-17;1-2-17-19-21(28-7-9-32(30,31)10-8-28)25-20-16(13-24-29(20)22(19)27-26-17)15-11-14-5-3-4-6-18(14)23-12-15;1-13-18-20(27-6-8-31(29,30)9-7-27)24-19-16(12-23-28(19)21(18)26-25-13)15-10-14-4-2-3-5-17(14)22-11-15/h2-8,13-14,17H,9-12H2,1H3,(H,28,29);2-5,8,11-13,15H,6-7,9-10H2,1H3,(H,28,29);3-6,11-13H,2,7-10H2,1H3,(H,26,27);2-5,10-12H,6-9H2,1H3,(H,25,26).
What are the key properties of 4-(5-ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide?
4-(5-ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 1799.10 g/mol, XLogP of 12.25, 11 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide;4-[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]thiane 1,1-dioxide;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 158665555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).