3-[4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(difluoromethyl)pyrrolidin-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-(2,3-dimethylpiperidin-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)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-methylpyrrolidin-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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

C135H156Cl5F2N35O12 — CID 159467813

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(difluoromethyl)pyrrolidin-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-(2,3-dimethylpiperidin-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)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-methylpyrrolidin-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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCC1CCC(Cn2c(N3CCCC(C)C3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCCC34CCOC4)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCC[C@H]3C(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.COC[C@@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1
InChIInChI=1S/C28H32ClN7O3.C28H34ClN7O2.C27H32ClN7O3.C26H28ClF2N7O2.C26H30ClN7O2/c1-17-3-5-18(6-4-17)15-35-24-21(32-26(35)36-9-2-7-28(36)8-10-38-16-28)12-22(25-33-27(37)39-34-25)31-23(24)19-11-20(29)14-30-13-19;1-16-6-8-19(9-7-16)15-36-25-22(32-27(36)35-10-4-5-17(2)18(35)3)12-23(26-33-28(37)38-34-26)31-24(25)20-11-21(29)14-30-13-20;1-16-5-7-17(8-6-16)14-35-24-21(31-26(35)34-9-3-4-20(34)15-37-2)11-22(25-32-27(36)38-33-25)30-23(24)18-10-19(28)13-29-12-18;1-14-4-6-15(7-5-14)13-36-22-18(32-25(36)35-8-2-3-20(35)23(28)29)10-19(24-33-26(37)38-34-24)31-21(22)16-9-17(27)12-30-11-16;1-15-5-7-17(8-6-15)14-34-23-20(30-25(34)33-9-3-4-16(33)2)11-21(24-31-26(35)36-32-24)29-22(23)18-10-19(27)13-28-12-18/h11-14,17-18H,2-10,15-16H2,1H3,(H,33,34,37);11-14,16-19H,4-10,15H2,1-3H3,(H,33,34,37);10-13,16-17,20H,3-9,14-15H2,1-2H3,(H,32,33,36);9-12,14-15,20,23H,2-8,13H2,1H3,(H,33,34,37);10-13,15-17H,3-9,14H2,1-2H3,(H,31,32,35)/t;;16?,17?,20-;14?,15?,20-;15?,16-,17?/m..001/s1
InChIKeyLVKJKXUKKSSDQA-OLCKPWKSSA-N
MW2676.23 g/mol
LogP26.80
Rot. Bonds28

About 3-[4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(difluoromethyl)pyrrolidin-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-(2,3-dimethylpiperidin-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)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-methylpyrrolidin-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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

3-[4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(difluoromethyl)pyrrolidin-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-(2,3-dimethylpiperidin-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)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-methylpyrrolidin-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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 159467813) has the molecular formula C135H156Cl5F2N35O12 and a molecular weight of 2676.23 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(difluoromethyl)pyrrolidin-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-(2,3-dimethylpiperidin-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)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-methylpyrrolidin-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-(7-oxa-1-azaspiro[4.4]nonan-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-[(2S)-2-(difluoromethyl)pyrrolidin-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-(2,3-dimethylpiperidin-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)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-methylpyrrolidin-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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID159467813
Molecular FormulaC135H156Cl5F2N35O12
Molecular Weight2676.23 g/mol
Exact Mass2672.11
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(difluoromethyl)pyrrolidin-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-(2,3-dimethylpiperidin-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)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-methylpyrrolidin-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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCC1CCC(Cn2c(N3CCCC(C)C3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCCC34CCOC4)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCC[C@H]3C(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.COC[C@@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1
InChIInChI=1S/C28H32ClN7O3.C28H34ClN7O2.C27H32ClN7O3.C26H28ClF2N7O2.C26H30ClN7O2/c1-17-3-5-18(6-4-17)15-35-24-21(32-26(35)36-9-2-7-28(36)8-10-38-16-28)12-22(25-33-27(37)39-34-25)31-23(24)19-11-20(29)14-30-13-19;1-16-6-8-19(9-7-16)15-36-25-22(32-27(36)35-10-4-5-17(2)18(35)3)12-23(26-33-28(37)38-34-26)31-24(25)20-11-21(29)14-30-13-20;1-16-5-7-17(8-6-16)14-35-24-21(31-26(35)34-9-3-4-20(34)15-37-2)11-22(25-32-27(36)38-33-25)30-23(24)18-10-19(28)13-29-12-18;1-14-4-6-15(7-5-14)13-36-22-18(32-25(36)35-8-2-3-20(35)23(28)29)10-19(24-33-26(37)38-34-24)31-21(22)16-9-17(27)12-30-11-16;1-15-5-7-17(8-6-15)14-34-23-20(30-25(34)33-9-3-4-16(33)2)11-21(24-31-26(35)36-32-24)29-22(23)18-10-19(27)13-28-12-18/h11-14,17-18H,2-10,15-16H2,1H3,(H,33,34,37);11-14,16-19H,4-10,15H2,1-3H3,(H,33,34,37);10-13,16-17,20H,3-9,14-15H2,1-2H3,(H,32,33,36);9-12,14-15,20,23H,2-8,13H2,1H3,(H,33,34,37);10-13,15-17H,3-9,14H2,1-2H3,(H,31,32,35)/t;;16?,17?,20-;14?,15?,20-;15?,16-,17?/m..001/s1
InChIKeyLVKJKXUKKSSDQA-OLCKPWKSSA-N
XLogP26.80
TPSA547.11 Ų
H-Bond Donors5
H-Bond Acceptors42
Rotatable Bonds28
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002676.23
LogP ≤ 526.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1042

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(difluoromethyl)pyrrolidin-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-(2,3-dimethylpiperidin-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)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-methylpyrrolidin-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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

3-[2-[(4aS,7aR)-5,5-difluoro-2,3,4a,6,7,7a-hexahydrocyclopenta[b][1,4]oxazin-4-yl]-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
CID 90684121
3-[4-(5-Chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
CID 90684062
3-[2-[(4aR,7aR)-6,6-difluoro-2,3,4a,5,7,7a-hexahydrocyclopenta[b][1,4]oxazin-4-yl]-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
CID 90684124
3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-pyridin-2-ylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
CID 90684125
3-[4-(5-Chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
CID 90684067
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]-1,2,4-oxadiazolidin-5-one
CID 90684081
3-[2-[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
CID 90684102
3-[4-(5-chloropyridin-3-yl)-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 136216194
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
CID 136216195
3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136216209
3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(8-oxa-1-azaspiro[4.5]decan-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136216210
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
CID 136216267

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(difluoromethyl)pyrrolidin-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-(2,3-dimethylpiperidin-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)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-methylpyrrolidin-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-(7-oxa-1-azaspiro[4.4]nonan-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-[(2S)-2-(difluoromethyl)pyrrolidin-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-(2,3-dimethylpiperidin-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)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-methylpyrrolidin-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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 159467813) is 3-[4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(difluoromethyl)pyrrolidin-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-(2,3-dimethylpiperidin-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)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-methylpyrrolidin-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-(7-oxa-1-azaspiro[4.4]nonan-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-[(2S)-2-(difluoromethyl)pyrrolidin-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-(2,3-dimethylpiperidin-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)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-methylpyrrolidin-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-(7-oxa-1-azaspiro[4.4]nonan-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-[(2S)-2-(difluoromethyl)pyrrolidin-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-(2,3-dimethylpiperidin-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)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-methylpyrrolidin-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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is CC1CCC(Cn2c(N3CCCC(C)C3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCCC34CCOC4)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCC[C@H]3C(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.COC[C@@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(difluoromethyl)pyrrolidin-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-(2,3-dimethylpiperidin-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)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-methylpyrrolidin-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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is LVKJKXUKKSSDQA-OLCKPWKSSA-N. The full InChI is InChI=1S/C28H32ClN7O3.C28H34ClN7O2.C27H32ClN7O3.C26H28ClF2N7O2.C26H30ClN7O2/c1-17-3-5-18(6-4-17)15-35-24-21(32-26(35)36-9-2-7-28(36)8-10-38-16-28)12-22(25-33-27(37)39-34-25)31-23(24)19-11-20(29)14-30-13-19;1-16-6-8-19(9-7-16)15-36-25-22(32-27(36)35-10-4-5-17(2)18(35)3)12-23(26-33-28(37)38-34-26)31-24(25)20-11-21(29)14-30-13-20;1-16-5-7-17(8-6-16)14-35-24-21(31-26(35)34-9-3-4-20(34)15-37-2)11-22(25-32-27(36)38-33-25)30-23(24)18-10-19(28)13-29-12-18;1-14-4-6-15(7-5-14)13-36-22-18(32-25(36)35-8-2-3-20(35)23(28)29)10-19(24-33-26(37)38-34-24)31-21(22)16-9-17(27)12-30-11-16;1-15-5-7-17(8-6-15)14-34-23-20(30-25(34)33-9-3-4-16(33)2)11-21(24-31-26(35)36-32-24)29-22(23)18-10-19(27)13-28-12-18/h11-14,17-18H,2-10,15-16H2,1H3,(H,33,34,37);11-14,16-19H,4-10,15H2,1-3H3,(H,33,34,37);10-13,16-17,20H,3-9,14-15H2,1-2H3,(H,32,33,36);9-12,14-15,20,23H,2-8,13H2,1H3,(H,33,34,37);10-13,15-17H,3-9,14H2,1-2H3,(H,31,32,35)/t;;16?,17?,20-;14?,15?,20-;15?,16-,17?/m..001/s1.
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(difluoromethyl)pyrrolidin-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-(2,3-dimethylpiperidin-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)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-methylpyrrolidin-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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
3-[4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(difluoromethyl)pyrrolidin-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-(2,3-dimethylpiperidin-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)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-methylpyrrolidin-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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 2676.23 g/mol, XLogP of 26.80, 28 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(difluoromethyl)pyrrolidin-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-(2,3-dimethylpiperidin-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)-2-(methoxymethyl)pyrrolidin-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-[(2R)-2-methylpyrrolidin-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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 159467813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).