3-[4-(5-chloro-3-pyridinyl)-2-[6-(1,1-difluoroethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(3-ethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]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-(3-methyl-1,4-oxazepan-4-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-oxa-5-azabicyclo[4.1.0]heptan-5-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

C135H154Cl5F2N35O14 — CID 161160249

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-[6-(1,1-difluoroethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(3-ethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]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-(3-methyl-1,4-oxazepan-4-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-oxa-5-azabicyclo[4.1.0]heptan-5-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCC1CCC(Cn2c(N3CC(C)OCC3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCC4C3C4C(C)(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCCOCC3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCOC4CC43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CCC1COCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1
InChIInChI=1S/C28H30ClF2N7O2.3C27H32ClN7O3.C26H28ClN7O3/c1-14-3-5-15(6-4-14)13-38-24-19(34-26(38)37-8-7-18-21(23(18)37)28(2,30)31)10-20(25-35-27(39)40-36-25)33-22(24)16-9-17(29)12-32-11-16;1-15-4-6-18(7-5-15)13-35-24-21(31-26(35)34-12-17(3)37-14-16(34)2)9-22(25-32-27(36)38-33-25)30-23(24)19-8-20(28)11-29-10-19;1-16-4-6-18(7-5-16)14-35-24-21(31-26(35)34-8-3-9-37-15-17(34)2)11-22(25-32-27(36)38-33-25)30-23(24)19-10-20(28)13-29-12-19;1-3-20-15-37-9-8-34(20)26-31-21-11-22(25-32-27(36)38-33-25)30-23(18-10-19(28)13-29-12-18)24(21)35(26)14-17-6-4-16(2)5-7-17;1-14-2-4-15(5-3-14)13-34-23-18(30-25(34)33-6-7-36-21-10-20(21)33)9-19(24-31-26(35)37-32-24)29-22(23)16-8-17(27)12-28-11-16/h9-12,14-15,18,21,23H,3-8,13H2,1-2H3,(H,35,36,39);8-11,15-18H,4-7,12-14H2,1-3H3,(H,32,33,36);10-13,16-18H,3-9,14-15H2,1-2H3,(H,32,33,36);10-13,16-17,20H,3-9,14-15H2,1-2H3,(H,32,33,36);8-9,11-12,14-15,20-21H,2-7,10,13H2,1H3,(H,31,32,35)
InChIKeyUPVDAOAYGQVYOX-UHFFFAOYSA-N
MW2706.21 g/mol
LogP24.88
Rot. Bonds27

About 3-[4-(5-chloro-3-pyridinyl)-2-[6-(1,1-difluoroethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(3-ethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]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-(3-methyl-1,4-oxazepan-4-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-oxa-5-azabicyclo[4.1.0]heptan-5-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

3-[4-(5-chloro-3-pyridinyl)-2-[6-(1,1-difluoroethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(3-ethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]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-(3-methyl-1,4-oxazepan-4-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-oxa-5-azabicyclo[4.1.0]heptan-5-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 161160249) has the molecular formula C135H154Cl5F2N35O14 and a molecular weight of 2706.21 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[6-(1,1-difluoroethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(3-ethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]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-(3-methyl-1,4-oxazepan-4-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-oxa-5-azabicyclo[4.1.0]heptan-5-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-[6-(1,1-difluoroethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(3-ethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]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-(3-methyl-1,4-oxazepan-4-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-oxa-5-azabicyclo[4.1.0]heptan-5-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID161160249
Molecular FormulaC135H154Cl5F2N35O14
Molecular Weight2706.21 g/mol
Exact Mass2702.08
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-[6-(1,1-difluoroethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(3-ethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]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-(3-methyl-1,4-oxazepan-4-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-oxa-5-azabicyclo[4.1.0]heptan-5-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCC1CCC(Cn2c(N3CC(C)OCC3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCC4C3C4C(C)(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCCOCC3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCOC4CC43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CCC1COCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1
InChIInChI=1S/C28H30ClF2N7O2.3C27H32ClN7O3.C26H28ClN7O3/c1-14-3-5-15(6-4-14)13-38-24-19(34-26(38)37-8-7-18-21(23(18)37)28(2,30)31)10-20(25-35-27(39)40-36-25)33-22(24)16-9-17(29)12-32-11-16;1-15-4-6-18(7-5-15)13-35-24-21(31-26(35)34-12-17(3)37-14-16(34)2)9-22(25-32-27(36)38-33-25)30-23(24)19-8-20(28)11-29-10-19;1-16-4-6-18(7-5-16)14-35-24-21(31-26(35)34-8-3-9-37-15-17(34)2)11-22(25-32-27(36)38-33-25)30-23(24)19-10-20(28)13-29-12-19;1-3-20-15-37-9-8-34(20)26-31-21-11-22(25-32-27(36)38-33-25)30-23(18-10-19(28)13-29-12-18)24(21)35(26)14-17-6-4-16(2)5-7-17;1-14-2-4-15(5-3-14)13-34-23-18(30-25(34)33-6-7-36-21-10-20(21)33)9-19(24-31-26(35)37-32-24)29-22(23)16-8-17(27)12-28-11-16/h9-12,14-15,18,21,23H,3-8,13H2,1-2H3,(H,35,36,39);8-11,15-18H,4-7,12-14H2,1-3H3,(H,32,33,36);10-13,16-18H,3-9,14-15H2,1-2H3,(H,32,33,36);10-13,16-17,20H,3-9,14-15H2,1-2H3,(H,32,33,36);8-9,11-12,14-15,20-21H,2-7,10,13H2,1H3,(H,31,32,35)
InChIKeyUPVDAOAYGQVYOX-UHFFFAOYSA-N
XLogP24.88
TPSA565.57 Ų
H-Bond Donors5
H-Bond Acceptors44
Rotatable Bonds27
Heavy Atoms191
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002706.21
LogP ≤ 524.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1044

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-[6-(1,1-difluoroethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(3-ethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]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-(3-methyl-1,4-oxazepan-4-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-oxa-5-azabicyclo[4.1.0]heptan-5-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-[6-(1,1-difluoroethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(3-ethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]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-(3-methyl-1,4-oxazepan-4-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-oxa-5-azabicyclo[4.1.0]heptan-5-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-[6-(1,1-difluoroethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(3-ethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]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-(3-methyl-1,4-oxazepan-4-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-oxa-5-azabicyclo[4.1.0]heptan-5-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 161160249) is 3-[4-(5-chloro-3-pyridinyl)-2-[6-(1,1-difluoroethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(3-ethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]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-(3-methyl-1,4-oxazepan-4-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-oxa-5-azabicyclo[4.1.0]heptan-5-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-[6-(1,1-difluoroethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(3-ethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]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-(3-methyl-1,4-oxazepan-4-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-oxa-5-azabicyclo[4.1.0]heptan-5-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-[6-(1,1-difluoroethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(3-ethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]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-(3-methyl-1,4-oxazepan-4-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-oxa-5-azabicyclo[4.1.0]heptan-5-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is CC1CCC(Cn2c(N3CC(C)OCC3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCC4C3C4C(C)(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCCOCC3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCOC4CC43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CCC1COCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-[6-(1,1-difluoroethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(3-ethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]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-(3-methyl-1,4-oxazepan-4-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-oxa-5-azabicyclo[4.1.0]heptan-5-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is UPVDAOAYGQVYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClF2N7O2.3C27H32ClN7O3.C26H28ClN7O3/c1-14-3-5-15(6-4-14)13-38-24-19(34-26(38)37-8-7-18-21(23(18)37)28(2,30)31)10-20(25-35-27(39)40-36-25)33-22(24)16-9-17(29)12-32-11-16;1-15-4-6-18(7-5-15)13-35-24-21(31-26(35)34-12-17(3)37-14-16(34)2)9-22(25-32-27(36)38-33-25)30-23(24)19-8-20(28)11-29-10-19;1-16-4-6-18(7-5-16)14-35-24-21(31-26(35)34-8-3-9-37-15-17(34)2)11-22(25-32-27(36)38-33-25)30-23(24)19-10-20(28)13-29-12-19;1-3-20-15-37-9-8-34(20)26-31-21-11-22(25-32-27(36)38-33-25)30-23(18-10-19(28)13-29-12-18)24(21)35(26)14-17-6-4-16(2)5-7-17;1-14-2-4-15(5-3-14)13-34-23-18(30-25(34)33-6-7-36-21-10-20(21)33)9-19(24-31-26(35)37-32-24)29-22(23)16-8-17(27)12-28-11-16/h9-12,14-15,18,21,23H,3-8,13H2,1-2H3,(H,35,36,39);8-11,15-18H,4-7,12-14H2,1-3H3,(H,32,33,36);10-13,16-18H,3-9,14-15H2,1-2H3,(H,32,33,36);10-13,16-17,20H,3-9,14-15H2,1-2H3,(H,32,33,36);8-9,11-12,14-15,20-21H,2-7,10,13H2,1H3,(H,31,32,35).
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-[6-(1,1-difluoroethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(3-ethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]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-(3-methyl-1,4-oxazepan-4-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-oxa-5-azabicyclo[4.1.0]heptan-5-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
3-[4-(5-chloro-3-pyridinyl)-2-[6-(1,1-difluoroethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(3-ethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]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-(3-methyl-1,4-oxazepan-4-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-oxa-5-azabicyclo[4.1.0]heptan-5-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 2706.21 g/mol, XLogP of 24.88, 27 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-2-[6-(1,1-difluoroethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-(3-ethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]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-(3-methyl-1,4-oxazepan-4-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-oxa-5-azabicyclo[4.1.0]heptan-5-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 161160249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).