(4R)-6-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(5-chlorothiophen-2-yl)hexan-2-one;(5R)-7-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-5-(1,3-thiazol-2-yl)heptan-3-one;(4R)-6-[3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;methyl 1-[8-[(3R)-3-(5-chlorothiophen-2-yl)-5-oxohexyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;(4R)-6-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one

C159H222Cl2N28O13S6 — CID 159949160

IUPAC(4R)-6-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(5-chlorothiophen-2-yl)hexan-2-one;(5R)-7-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-5-(1,3-thiazol-2-yl)heptan-3-one;(4R)-6-[3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;methyl 1-[8-[(3R)-3-(5-chlorothiophen-2-yl)-5-oxohexyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;(4R)-6-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one
SMILESCC(=O)C[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(=O)C(C)C)C3)C2)c1nccs1.CC(=O)C[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(=O)C1CC1)C3)C2)c1nccs1.CC(=O)C[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(C)=O)C3)C2)c1ccc(Cl)s1.CCC(=O)C[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(C)=O)C3)C2)c1nccs1.CCCC(=O)N1CCc2c(nc(C)n2C2CC3CCC(C2)N3CC[C@H](CC(C)=O)c2nccs2)C1.COC(=O)N1CCc2c(nc(C)n2C2CC3CCC(C2)N3CC[C@H](CC(C)=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C27H37N5O2S.2C27H39N5O2S.C26H35ClN4O3S.C26H35ClN4O2S.C26H37N5O2S/c1-17(33)13-20(26-28-9-12-35-26)7-11-31-21-5-6-22(31)15-23(14-21)32-18(2)29-24-16-30(10-8-25(24)32)27(34)19-3-4-19;1-17(2)27(34)30-10-8-25-24(16-30)29-19(4)32(25)23-14-21-5-6-22(15-23)31(21)11-7-20(13-18(3)33)26-28-9-12-35-26;1-4-5-26(34)30-11-9-25-24(17-30)29-19(3)32(25)23-15-21-6-7-22(16-23)31(21)12-8-20(14-18(2)33)27-28-10-13-35-27;1-16(32)12-18(24-6-7-25(27)35-24)8-11-30-19-4-5-20(30)14-21(13-19)31-17(2)28-22-15-29(26(33)34-3)10-9-23(22)31;1-16(32)12-19(25-6-7-26(27)34-25)8-11-30-20-4-5-21(30)14-22(13-20)31-17(2)28-23-15-29(18(3)33)10-9-24(23)31;1-4-23(33)13-19(26-27-9-12-34-26)7-11-30-20-5-6-21(30)15-22(14-20)31-17(2)28-24-16-29(18(3)32)10-8-25(24)31/h9,12,19-23H,3-8,10-11,13-16H2,1-2H3;9,12,17,20-23H,5-8,10-11,13-16H2,1-4H3;10,13,20-23H,4-9,11-12,14-17H2,1-3H3;6-7,18-21H,4-5,8-15H2,1-3H3;6-7,19-22H,4-5,8-15H2,1-3H3;9,12,19-22H,4-8,10-11,13-16H2,1-3H3/t3*20-,21?,22?,23?;18-,19?,20?,21?;2*19-,20?,21?,22?/m111111/s1
InChIKeyOBWNGYQCKZYIDM-LPKZYONFSA-N
MW2997.02 g/mol
LogP28.17
Rot. Bonds47

About (4R)-6-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(5-chlorothiophen-2-yl)hexan-2-one;(5R)-7-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-5-(1,3-thiazol-2-yl)heptan-3-one;(4R)-6-[3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;methyl 1-[8-[(3R)-3-(5-chlorothiophen-2-yl)-5-oxohexyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;(4R)-6-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one

(4R)-6-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(5-chlorothiophen-2-yl)hexan-2-one;(5R)-7-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-5-(1,3-thiazol-2-yl)heptan-3-one;(4R)-6-[3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;methyl 1-[8-[(3R)-3-(5-chlorothiophen-2-yl)-5-oxohexyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;(4R)-6-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one (PubChem CID 159949160) has the molecular formula C159H222Cl2N28O13S6 and a molecular weight of 2997.02 g/mol. Its IUPAC name is (4R)-6-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(5-chlorothiophen-2-yl)hexan-2-one;(5R)-7-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-5-(1,3-thiazol-2-yl)heptan-3-one;(4R)-6-[3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;methyl 1-[8-[(3R)-3-(5-chlorothiophen-2-yl)-5-oxohexyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;(4R)-6-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one.

Molecular Properties

Compound Name(4R)-6-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(5-chlorothiophen-2-yl)hexan-2-one;(5R)-7-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-5-(1,3-thiazol-2-yl)heptan-3-one;(4R)-6-[3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;methyl 1-[8-[(3R)-3-(5-chlorothiophen-2-yl)-5-oxohexyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;(4R)-6-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one
PubChem CID159949160
Molecular FormulaC159H222Cl2N28O13S6
Molecular Weight2997.02 g/mol
Exact Mass2993.53
IUPAC Name(4R)-6-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(5-chlorothiophen-2-yl)hexan-2-one;(5R)-7-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-5-(1,3-thiazol-2-yl)heptan-3-one;(4R)-6-[3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;methyl 1-[8-[(3R)-3-(5-chlorothiophen-2-yl)-5-oxohexyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;(4R)-6-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one
SMILESCC(=O)C[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(=O)C(C)C)C3)C2)c1nccs1.CC(=O)C[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(=O)C1CC1)C3)C2)c1nccs1.CC(=O)C[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(C)=O)C3)C2)c1ccc(Cl)s1.CCC(=O)C[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(C)=O)C3)C2)c1nccs1.CCCC(=O)N1CCc2c(nc(C)n2C2CC3CCC(C2)N3CC[C@H](CC(C)=O)c2nccs2)C1.COC(=O)N1CCc2c(nc(C)n2C2CC3CCC(C2)N3CC[C@H](CC(C)=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C27H37N5O2S.2C27H39N5O2S.C26H35ClN4O3S.C26H35ClN4O2S.C26H37N5O2S/c1-17(33)13-20(26-28-9-12-35-26)7-11-31-21-5-6-22(31)15-23(14-21)32-18(2)29-24-16-30(10-8-25(24)32)27(34)19-3-4-19;1-17(2)27(34)30-10-8-25-24(16-30)29-19(4)32(25)23-14-21-5-6-22(15-23)31(21)11-7-20(13-18(3)33)26-28-9-12-35-26;1-4-5-26(34)30-11-9-25-24(17-30)29-19(3)32(25)23-15-21-6-7-22(16-23)31(21)12-8-20(14-18(2)33)27-28-10-13-35-27;1-16(32)12-18(24-6-7-25(27)35-24)8-11-30-19-4-5-20(30)14-21(13-19)31-17(2)28-22-15-29(26(33)34-3)10-9-23(22)31;1-16(32)12-19(25-6-7-26(27)34-25)8-11-30-20-4-5-21(30)14-22(13-20)31-17(2)28-23-15-29(18(3)33)10-9-24(23)31;1-4-23(33)13-19(26-27-9-12-34-26)7-11-30-20-5-6-21(30)15-22(14-20)31-17(2)28-24-16-29(18(3)32)10-8-25(24)31/h9,12,19-23H,3-8,10-11,13-16H2,1-2H3;9,12,17,20-23H,5-8,10-11,13-16H2,1-4H3;10,13,20-23H,4-9,11-12,14-17H2,1-3H3;6-7,18-21H,4-5,8-15H2,1-3H3;6-7,19-22H,4-5,8-15H2,1-3H3;9,12,19-22H,4-8,10-11,13-16H2,1-3H3/t3*20-,21?,22?,23?;18-,19?,20?,21?;2*19-,20?,21?,22?/m111111/s1
InChIKeyOBWNGYQCKZYIDM-LPKZYONFSA-N
XLogP28.17
TPSA411.43 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds47
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002997.02
LogP ≤ 528.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze (4R)-6-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(5-chlorothiophen-2-yl)hexan-2-one;(5R)-7-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-5-(1,3-thiazol-2-yl)heptan-3-one;(4R)-6-[3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;methyl 1-[8-[(3R)-3-(5-chlorothiophen-2-yl)-5-oxohexyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;(4R)-6-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-6-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(5-chlorothiophen-2-yl)hexan-2-one;(5R)-7-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-5-(1,3-thiazol-2-yl)heptan-3-one;(4R)-6-[3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;methyl 1-[8-[(3R)-3-(5-chlorothiophen-2-yl)-5-oxohexyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;(4R)-6-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one?
The IUPAC name of (4R)-6-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(5-chlorothiophen-2-yl)hexan-2-one;(5R)-7-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-5-(1,3-thiazol-2-yl)heptan-3-one;(4R)-6-[3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;methyl 1-[8-[(3R)-3-(5-chlorothiophen-2-yl)-5-oxohexyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;(4R)-6-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one (CID 159949160) is (4R)-6-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(5-chlorothiophen-2-yl)hexan-2-one;(5R)-7-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-5-(1,3-thiazol-2-yl)heptan-3-one;(4R)-6-[3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;methyl 1-[8-[(3R)-3-(5-chlorothiophen-2-yl)-5-oxohexyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;(4R)-6-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one.
What is the SMILES notation for (4R)-6-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(5-chlorothiophen-2-yl)hexan-2-one;(5R)-7-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-5-(1,3-thiazol-2-yl)heptan-3-one;(4R)-6-[3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;methyl 1-[8-[(3R)-3-(5-chlorothiophen-2-yl)-5-oxohexyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;(4R)-6-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one?
The canonical SMILES for (4R)-6-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(5-chlorothiophen-2-yl)hexan-2-one;(5R)-7-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-5-(1,3-thiazol-2-yl)heptan-3-one;(4R)-6-[3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;methyl 1-[8-[(3R)-3-(5-chlorothiophen-2-yl)-5-oxohexyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;(4R)-6-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one is CC(=O)C[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(=O)C(C)C)C3)C2)c1nccs1.CC(=O)C[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(=O)C1CC1)C3)C2)c1nccs1.CC(=O)C[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(C)=O)C3)C2)c1ccc(Cl)s1.CCC(=O)C[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(C)=O)C3)C2)c1nccs1.CCCC(=O)N1CCc2c(nc(C)n2C2CC3CCC(C2)N3CC[C@H](CC(C)=O)c2nccs2)C1.COC(=O)N1CCc2c(nc(C)n2C2CC3CCC(C2)N3CC[C@H](CC(C)=O)c2ccc(Cl)s2)C1.
What is the InChIKey of (4R)-6-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(5-chlorothiophen-2-yl)hexan-2-one;(5R)-7-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-5-(1,3-thiazol-2-yl)heptan-3-one;(4R)-6-[3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;methyl 1-[8-[(3R)-3-(5-chlorothiophen-2-yl)-5-oxohexyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;(4R)-6-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one?
The InChIKey is OBWNGYQCKZYIDM-LPKZYONFSA-N. The full InChI is InChI=1S/C27H37N5O2S.2C27H39N5O2S.C26H35ClN4O3S.C26H35ClN4O2S.C26H37N5O2S/c1-17(33)13-20(26-28-9-12-35-26)7-11-31-21-5-6-22(31)15-23(14-21)32-18(2)29-24-16-30(10-8-25(24)32)27(34)19-3-4-19;1-17(2)27(34)30-10-8-25-24(16-30)29-19(4)32(25)23-14-21-5-6-22(15-23)31(21)11-7-20(13-18(3)33)26-28-9-12-35-26;1-4-5-26(34)30-11-9-25-24(17-30)29-19(3)32(25)23-15-21-6-7-22(16-23)31(21)12-8-20(14-18(2)33)27-28-10-13-35-27;1-16(32)12-18(24-6-7-25(27)35-24)8-11-30-19-4-5-20(30)14-21(13-19)31-17(2)28-22-15-29(26(33)34-3)10-9-23(22)31;1-16(32)12-19(25-6-7-26(27)34-25)8-11-30-20-4-5-21(30)14-22(13-20)31-17(2)28-23-15-29(18(3)33)10-9-24(23)31;1-4-23(33)13-19(26-27-9-12-34-26)7-11-30-20-5-6-21(30)15-22(14-20)31-17(2)28-24-16-29(18(3)32)10-8-25(24)31/h9,12,19-23H,3-8,10-11,13-16H2,1-2H3;9,12,17,20-23H,5-8,10-11,13-16H2,1-4H3;10,13,20-23H,4-9,11-12,14-17H2,1-3H3;6-7,18-21H,4-5,8-15H2,1-3H3;6-7,19-22H,4-5,8-15H2,1-3H3;9,12,19-22H,4-8,10-11,13-16H2,1-3H3/t3*20-,21?,22?,23?;18-,19?,20?,21?;2*19-,20?,21?,22?/m111111/s1.
What are the key properties of (4R)-6-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(5-chlorothiophen-2-yl)hexan-2-one;(5R)-7-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-5-(1,3-thiazol-2-yl)heptan-3-one;(4R)-6-[3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;methyl 1-[8-[(3R)-3-(5-chlorothiophen-2-yl)-5-oxohexyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;(4R)-6-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one?
(4R)-6-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(5-chlorothiophen-2-yl)hexan-2-one;(5R)-7-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-5-(1,3-thiazol-2-yl)heptan-3-one;(4R)-6-[3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;methyl 1-[8-[(3R)-3-(5-chlorothiophen-2-yl)-5-oxohexyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;(4R)-6-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one has a molecular weight of 2997.02 g/mol, XLogP of 28.17, 47 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(5-chlorothiophen-2-yl)hexan-2-one;(5R)-7-[3-(5-acetyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-5-(1,3-thiazol-2-yl)heptan-3-one;(4R)-6-[3-(5-butanoyl-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;(4R)-6-[3-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one;methyl 1-[8-[(3R)-3-(5-chlorothiophen-2-yl)-5-oxohexyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate;(4R)-6-[3-[2-methyl-5-(2-methylpropanoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]-4-(1,3-thiazol-2-yl)hexan-2-one is sourced from PubChem (CID 159949160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).