3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

C144H168Cl5F3N38O15 — CID 162173834

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCC1CCC(Cn2c(N3CCCC3COC(C)C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCCC3COC(F)(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCC[C@@H]3C(=O)N(C)C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CCN(C)C(=O)[C@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.CCc1noc(C)c1C1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1
InChIInChI=1S/C31H35ClN8O3.C29H35ClN8O3.C29H36ClN7O3.C28H33ClN8O3.C27H29ClF3N7O3/c1-4-22-26(18(3)42-37-22)25-6-5-11-39(25)30-35-23-13-24(29-36-31(41)43-38-29)34-27(20-12-21(32)15-33-14-20)28(23)40(30)16-19-9-7-17(2)8-10-19;1-4-36(3)27(39)23-6-5-11-37(23)28-33-21-13-22(26-34-29(40)41-35-26)32-24(19-12-20(30)15-31-14-19)25(21)38(28)16-18-9-7-17(2)8-10-18;1-17(2)39-16-22-5-4-10-36(22)28-33-23-12-24(27-34-29(38)40-35-27)32-25(20-11-21(30)14-31-13-20)26(23)37(28)15-19-8-6-18(3)7-9-19;1-16-6-8-17(9-7-16)15-37-24-20(32-27(37)36-10-4-5-22(36)26(38)35(2)3)12-21(25-33-28(39)40-34-25)31-23(24)18-11-19(29)14-30-13-18;1-15-4-6-16(7-5-15)13-38-23-20(34-25(38)37-8-2-3-19(37)14-40-27(29,30)31)10-21(24-35-26(39)41-36-24)33-22(23)17-9-18(28)12-32-11-17/h12-15,17,19,25H,4-11,16H2,1-3H3,(H,36,38,41);12-15,17-18,23H,4-11,16H2,1-3H3,(H,34,35,40);11-14,17-19,22H,4-10,15-16H2,1-3H3,(H,34,35,38);11-14,16-17,22H,4-10,15H2,1-3H3,(H,33,34,39);9-12,15-16,19H,2-8,13-14H2,1H3,(H,35,36,39)/t;17?,18?,23-;;16?,17?,22-;/m.1.1./s1
InChIKeyZODCHCLNMHVDDW-FTJHBITDSA-N
MW2905.44 g/mol
LogP27.18
Rot. Bonds35

About 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 162173834) has the molecular formula C144H168Cl5F3N38O15 and a molecular weight of 2905.44 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID162173834
Molecular FormulaC144H168Cl5F3N38O15
Molecular Weight2905.44 g/mol
Exact Mass2901.19
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCC1CCC(Cn2c(N3CCCC3COC(C)C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCCC3COC(F)(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCC[C@@H]3C(=O)N(C)C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CCN(C)C(=O)[C@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.CCc1noc(C)c1C1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1
InChIInChI=1S/C31H35ClN8O3.C29H35ClN8O3.C29H36ClN7O3.C28H33ClN8O3.C27H29ClF3N7O3/c1-4-22-26(18(3)42-37-22)25-6-5-11-39(25)30-35-23-13-24(29-36-31(41)43-38-29)34-27(20-12-21(32)15-33-14-20)28(23)40(30)16-19-9-7-17(2)8-10-19;1-4-36(3)27(39)23-6-5-11-37(23)28-33-21-13-22(26-34-29(40)41-35-26)32-24(19-12-20(30)15-31-14-19)25(21)38(28)16-18-9-7-17(2)8-10-18;1-17(2)39-16-22-5-4-10-36(22)28-33-23-12-24(27-34-29(38)40-35-27)32-25(20-11-21(30)14-31-13-20)26(23)37(28)15-19-8-6-18(3)7-9-19;1-16-6-8-17(9-7-16)15-37-24-20(32-27(37)36-10-4-5-22(36)26(38)35(2)3)12-21(25-33-28(39)40-34-25)31-23(24)18-11-19(29)14-30-13-18;1-15-4-6-16(7-5-15)13-38-23-20(34-25(38)37-8-2-3-19(37)14-40-27(29,30)31)10-21(24-35-26(39)41-36-24)33-22(23)17-9-18(28)12-32-11-17/h12-15,17,19,25H,4-11,16H2,1-3H3,(H,36,38,41);12-15,17-18,23H,4-11,16H2,1-3H3,(H,34,35,40);11-14,17-19,22H,4-10,15-16H2,1-3H3,(H,34,35,38);11-14,16-17,22H,4-10,15H2,1-3H3,(H,33,34,39);9-12,15-16,19H,2-8,13-14H2,1H3,(H,35,36,39)/t;17?,18?,23-;;16?,17?,22-;/m.1.1./s1
InChIKeyZODCHCLNMHVDDW-FTJHBITDSA-N
XLogP27.18
TPSA613.76 Ų
H-Bond Donors5
H-Bond Acceptors46
Rotatable Bonds35
Heavy Atoms205
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002905.44
LogP ≤ 527.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1046

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 162173834) is 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is CC1CCC(Cn2c(N3CCCC3COC(C)C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCCC3COC(F)(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCC[C@@H]3C(=O)N(C)C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CCN(C)C(=O)[C@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.CCc1noc(C)c1C1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is ZODCHCLNMHVDDW-FTJHBITDSA-N. The full InChI is InChI=1S/C31H35ClN8O3.C29H35ClN8O3.C29H36ClN7O3.C28H33ClN8O3.C27H29ClF3N7O3/c1-4-22-26(18(3)42-37-22)25-6-5-11-39(25)30-35-23-13-24(29-36-31(41)43-38-29)34-27(20-12-21(32)15-33-14-20)28(23)40(30)16-19-9-7-17(2)8-10-19;1-4-36(3)27(39)23-6-5-11-37(23)28-33-21-13-22(26-34-29(40)41-35-26)32-24(19-12-20(30)15-31-14-19)25(21)38(28)16-18-9-7-17(2)8-10-18;1-17(2)39-16-22-5-4-10-36(22)28-33-23-12-24(27-34-29(38)40-35-27)32-25(20-11-21(30)14-31-13-20)26(23)37(28)15-19-8-6-18(3)7-9-19;1-16-6-8-17(9-7-16)15-37-24-20(32-27(37)36-10-4-5-22(36)26(38)35(2)3)12-21(25-33-28(39)40-34-25)31-23(24)18-11-19(29)14-30-13-18;1-15-4-6-16(7-5-15)13-38-23-20(34-25(38)37-8-2-3-19(37)14-40-27(29,30)31)10-21(24-35-26(39)41-36-24)33-22(23)17-9-18(28)12-32-11-17/h12-15,17,19,25H,4-11,16H2,1-3H3,(H,36,38,41);12-15,17-18,23H,4-11,16H2,1-3H3,(H,34,35,40);11-14,17-19,22H,4-10,15-16H2,1-3H3,(H,34,35,38);11-14,16-17,22H,4-10,15H2,1-3H3,(H,33,34,39);9-12,15-16,19H,2-8,13-14H2,1H3,(H,35,36,39)/t;17?,18?,23-;;16?,17?,22-;/m.1.1./s1.
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 2905.44 g/mol, XLogP of 27.18, 35 rotatable bonds, 5 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide;(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(propan-2-yloxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 162173834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).