3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-[(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-methoxy-7-azabicyclo[2.2.1]heptan-7-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-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-[(2S,4R)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

C140H166Cl5F2N35O14 — CID 160804575

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-[(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-methoxy-7-azabicyclo[2.2.1]heptan-7-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-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-[(2S,4R)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCC1CCC(Cn2c(N3C[C@H](C)C[C@H]3C(C)C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.COC1CC2CCC1N2c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.CO[C@@H]1C[C@@H](C(C)C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)C1.CO[C@@H]1C[C@@H](CF)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)C1.CO[C@@H]1C[C@H](CF)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)C1
InChIInChI=1S/C29H36ClN7O3.C29H36ClN7O2.C28H32ClN7O3.2C27H31ClFN7O3/c1-16(2)24-10-21(39-4)15-36(24)28-33-22-11-23(27-34-29(38)40-35-27)32-25(19-9-20(30)13-31-12-19)26(22)37(28)14-18-7-5-17(3)6-8-18;1-16(2)24-9-18(4)14-36(24)28-33-22-11-23(27-34-29(38)39-35-27)32-25(20-10-21(30)13-31-12-20)26(22)37(28)15-19-7-5-17(3)6-8-19;1-15-3-5-16(6-4-15)14-35-25-20(32-27(35)36-19-7-8-22(36)23(10-19)38-2)11-21(26-33-28(37)39-34-26)31-24(25)17-9-18(29)13-30-12-17;2*1-15-3-5-16(6-4-15)13-36-24-21(32-26(36)35-14-20(38-2)8-19(35)10-29)9-22(25-33-27(37)39-34-25)31-23(24)17-7-18(28)12-30-11-17/h9,11-13,16-18,21,24H,5-8,10,14-15H2,1-4H3,(H,34,35,38);10-13,16-19,24H,5-9,14-15H2,1-4H3,(H,34,35,38);9,11-13,15-16,19,22-23H,3-8,10,14H2,1-2H3,(H,33,34,37);2*7,9,11-12,15-16,19-20H,3-6,8,10,13-14H2,1-2H3,(H,33,34,37)/t17?,18?,21-,24+;17?,18-,19?,24+;;15?,16?,19-,20+;15?,16?,19-,20-/m11.01/s1
InChIKeySDNDHRMMDQCVSC-OFFAPMKBSA-N
MW2778.36 g/mol
LogP26.58
Rot. Bonds33

About 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-[(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-methoxy-7-azabicyclo[2.2.1]heptan-7-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-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-[(2S,4R)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-[(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-methoxy-7-azabicyclo[2.2.1]heptan-7-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-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-[(2S,4R)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 160804575) has the molecular formula C140H166Cl5F2N35O14 and a molecular weight of 2778.36 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-[(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-methoxy-7-azabicyclo[2.2.1]heptan-7-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-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-[(2S,4R)-4-methyl-2-propan-2-ylpyrrolidin-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-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-[(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-methoxy-7-azabicyclo[2.2.1]heptan-7-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-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-[(2S,4R)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID160804575
Molecular FormulaC140H166Cl5F2N35O14
Molecular Weight2778.36 g/mol
Exact Mass2774.18
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-[(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-methoxy-7-azabicyclo[2.2.1]heptan-7-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-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-[(2S,4R)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCC1CCC(Cn2c(N3C[C@H](C)C[C@H]3C(C)C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.COC1CC2CCC1N2c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.CO[C@@H]1C[C@@H](C(C)C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)C1.CO[C@@H]1C[C@@H](CF)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)C1.CO[C@@H]1C[C@H](CF)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)C1
InChIInChI=1S/C29H36ClN7O3.C29H36ClN7O2.C28H32ClN7O3.2C27H31ClFN7O3/c1-16(2)24-10-21(39-4)15-36(24)28-33-22-11-23(27-34-29(38)40-35-27)32-25(19-9-20(30)13-31-12-19)26(22)37(28)14-18-7-5-17(3)6-8-18;1-16(2)24-9-18(4)14-36(24)28-33-22-11-23(27-34-29(38)39-35-27)32-25(20-10-21(30)13-31-12-20)26(22)37(28)15-19-7-5-17(3)6-8-19;1-15-3-5-16(6-4-15)14-35-25-20(32-27(35)36-19-7-8-22(36)23(10-19)38-2)11-21(26-33-28(37)39-34-26)31-24(25)17-9-18(29)13-30-12-17;2*1-15-3-5-16(6-4-15)13-36-24-21(32-26(36)35-14-20(38-2)8-19(35)10-29)9-22(25-33-27(37)39-34-25)31-23(24)17-7-18(28)12-30-11-17/h9,11-13,16-18,21,24H,5-8,10,14-15H2,1-4H3,(H,34,35,38);10-13,16-19,24H,5-9,14-15H2,1-4H3,(H,34,35,38);9,11-13,15-16,19,22-23H,3-8,10,14H2,1-2H3,(H,33,34,37);2*7,9,11-12,15-16,19-20H,3-6,8,10,13-14H2,1-2H3,(H,33,34,37)/t17?,18?,21-,24+;17?,18-,19?,24+;;15?,16?,19-,20+;15?,16?,19-,20-/m11.01/s1
InChIKeySDNDHRMMDQCVSC-OFFAPMKBSA-N
XLogP26.58
TPSA565.57 Ų
H-Bond Donors5
H-Bond Acceptors44
Rotatable Bonds33
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002778.36
LogP ≤ 526.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1044

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-[(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-methoxy-7-azabicyclo[2.2.1]heptan-7-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-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-[(2S,4R)-4-methyl-2-propan-2-ylpyrrolidin-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-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-[(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-methoxy-7-azabicyclo[2.2.1]heptan-7-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-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-[(2S,4R)-4-methyl-2-propan-2-ylpyrrolidin-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-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-[(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-methoxy-7-azabicyclo[2.2.1]heptan-7-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-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-[(2S,4R)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 160804575) is 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-[(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-methoxy-7-azabicyclo[2.2.1]heptan-7-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-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-[(2S,4R)-4-methyl-2-propan-2-ylpyrrolidin-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-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-[(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-methoxy-7-azabicyclo[2.2.1]heptan-7-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-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-[(2S,4R)-4-methyl-2-propan-2-ylpyrrolidin-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-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-[(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-methoxy-7-azabicyclo[2.2.1]heptan-7-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-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-[(2S,4R)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is CC1CCC(Cn2c(N3C[C@H](C)C[C@H]3C(C)C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.COC1CC2CCC1N2c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.CO[C@@H]1C[C@@H](C(C)C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)C1.CO[C@@H]1C[C@@H](CF)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)C1.CO[C@@H]1C[C@H](CF)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)C1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-[(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-methoxy-7-azabicyclo[2.2.1]heptan-7-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-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-[(2S,4R)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is SDNDHRMMDQCVSC-OFFAPMKBSA-N. The full InChI is InChI=1S/C29H36ClN7O3.C29H36ClN7O2.C28H32ClN7O3.2C27H31ClFN7O3/c1-16(2)24-10-21(39-4)15-36(24)28-33-22-11-23(27-34-29(38)40-35-27)32-25(19-9-20(30)13-31-12-19)26(22)37(28)14-18-7-5-17(3)6-8-18;1-16(2)24-9-18(4)14-36(24)28-33-22-11-23(27-34-29(38)39-35-27)32-25(20-10-21(30)13-31-12-20)26(22)37(28)15-19-7-5-17(3)6-8-19;1-15-3-5-16(6-4-15)14-35-25-20(32-27(35)36-19-7-8-22(36)23(10-19)38-2)11-21(26-33-28(37)39-34-26)31-24(25)17-9-18(29)13-30-12-17;2*1-15-3-5-16(6-4-15)13-36-24-21(32-26(36)35-14-20(38-2)8-19(35)10-29)9-22(25-33-27(37)39-34-25)31-23(24)17-7-18(28)12-30-11-17/h9,11-13,16-18,21,24H,5-8,10,14-15H2,1-4H3,(H,34,35,38);10-13,16-19,24H,5-9,14-15H2,1-4H3,(H,34,35,38);9,11-13,15-16,19,22-23H,3-8,10,14H2,1-2H3,(H,33,34,37);2*7,9,11-12,15-16,19-20H,3-6,8,10,13-14H2,1-2H3,(H,33,34,37)/t17?,18?,21-,24+;17?,18-,19?,24+;;15?,16?,19-,20+;15?,16?,19-,20-/m11.01/s1.
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-[(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-methoxy-7-azabicyclo[2.2.1]heptan-7-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-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-[(2S,4R)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-[(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-methoxy-7-azabicyclo[2.2.1]heptan-7-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-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-[(2S,4R)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 2778.36 g/mol, XLogP of 26.58, 33 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-[(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-[(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidin-1-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-methoxy-7-azabicyclo[2.2.1]heptan-7-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-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-[(2S,4R)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 160804575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).