3-[4-(5-chloro-3-pyridinyl)-2-[1-(2,4-difluorophenyl)-1-fluoroethyl]-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-[1-fluoro-1-(2-fluorophenyl)ethyl]-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-(1-phenylethenyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

C87H80Cl3F5N18O6 — CID 159745333

About 3-[4-(5-chloro-3-pyridinyl)-2-[1-(2,4-difluorophenyl)-1-fluoroethyl]-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-[1-fluoro-1-(2-fluorophenyl)ethyl]-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-(1-phenylethenyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

3-[4-(5-chloro-3-pyridinyl)-2-[1-(2,4-difluorophenyl)-1-fluoroethyl]-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-[1-fluoro-1-(2-fluorophenyl)ethyl]-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-(1-phenylethenyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 159745333) has the molecular formula C87H80Cl3F5N18O6 and a molecular weight of 1675.07 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[1-(2,4-difluorophenyl)-1-fluoroethyl]-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-[1-fluoro-1-(2-fluorophenyl)ethyl]-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-(1-phenylethenyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

• Compound Name: 3-[4-(5-chloro-3-pyridinyl)-2-[1-(2,4-difluorophenyl)-1-fluoroethyl]-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-[1-fluoro-1-(2-fluorophenyl)ethyl]-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-(1-phenylethenyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 159745333
• Molecular Formula: C87H80Cl3F5N18O6
• Molecular Weight: 1675.07 g/mol
• Exact Mass: 1672.55
• IUPAC Name: 3-[4-(5-chloro-3-pyridinyl)-2-[1-(2,4-difluorophenyl)-1-fluoroethyl]-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-[1-fluoro-1-(2-fluorophenyl)ethyl]-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-(1-phenylethenyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• SMILES: C=C(c1ccccc1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.CC1CCC(Cn2c(C(C)(F)c3ccc(F)cc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(C(C)(F)c3ccccc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1
• InChI: InChI=1S/C29H26ClF3N6O2.C29H27ClF2N6O2.C29H27ClN6O2/c1-15-3-5-16(6-4-15)14-39-25-22(36-27(39)29(2,33)20-8-7-19(31)10-21(20)32)11-23(26-37-28(40)41-38-26)35-24(25)17-9-18(30)13-34-12-17;1-16-7-9-17(10-8-16)15-38-25-22(35-27(38)29(2,32)20-5-3-4-6-21(20)31)12-23(26-36-28(39)40-37-26)34-24(25)18-11-19(30)14-33-13-18;1-17-8-10-19(11-9-17)16-36-26-23(33-28(36)18(2)20-6-4-3-5-7-20)13-24(27-34-29(37)38-35-27)32-25(26)21-12-22(30)15-31-14-21/h7-13,15-16H,3-6,14H2,1-2H3,(H,37,38,40);3-6,11-14,16-17H,7-10,15H2,1-2H3,(H,36,37,39);3-7,12-15,17,19H,2,8-11,16H2,1H3,(H,34,35,37)
• InChIKey: NCYXXLWBTYAXTQ-UHFFFAOYSA-N
• XLogP: 19.89
• TPSA: 307.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1675.07
LogP ≤ 5	19.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[1-(2,4-difluorophenyl)-1-fluoroethyl]-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-[1-fluoro-1-(2-fluorophenyl)ethyl]-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-(1-phenylethenyl)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-[1-(2,4-difluorophenyl)-1-fluoroethyl]-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-[1-fluoro-1-(2-fluorophenyl)ethyl]-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-(1-phenylethenyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 159745333) is 3-[4-(5-chloro-3-pyridinyl)-2-[1-(2,4-difluorophenyl)-1-fluoroethyl]-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-[1-fluoro-1-(2-fluorophenyl)ethyl]-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-(1-phenylethenyl)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-[1-(2,4-difluorophenyl)-1-fluoroethyl]-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-[1-fluoro-1-(2-fluorophenyl)ethyl]-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-(1-phenylethenyl)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-[1-(2,4-difluorophenyl)-1-fluoroethyl]-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-[1-fluoro-1-(2-fluorophenyl)ethyl]-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-(1-phenylethenyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is C=C(c1ccccc1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.CC1CCC(Cn2c(C(C)(F)c3ccc(F)cc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(C(C)(F)c3ccccc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.

What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-[1-(2,4-difluorophenyl)-1-fluoroethyl]-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-[1-fluoro-1-(2-fluorophenyl)ethyl]-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-(1-phenylethenyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?

The InChIKey is NCYXXLWBTYAXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClF3N6O2.C29H27ClF2N6O2.C29H27ClN6O2/c1-15-3-5-16(6-4-15)14-39-25-22(36-27(39)29(2,33)20-8-7-19(31)10-21(20)32)11-23(26-37-28(40)41-38-26)35-24(25)17-9-18(30)13-34-12-17;1-16-7-9-17(10-8-16)15-38-25-22(35-27(38)29(2,32)20-5-3-4-6-21(20)31)12-23(26-36-28(39)40-37-26)34-24(25)18-11-19(30)14-33-13-18;1-17-8-10-19(11-9-17)16-36-26-23(33-28(36)18(2)20-6-4-3-5-7-20)13-24(27-34-29(37)38-35-27)32-25(26)21-12-22(30)15-31-14-21/h7-13,15-16H,3-6,14H2,1-2H3,(H,37,38,40);3-6,11-14,16-17H,7-10,15H2,1-2H3,(H,36,37,39);3-7,12-15,17,19H,2,8-11,16H2,1H3,(H,34,35,37).

What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-[1-(2,4-difluorophenyl)-1-fluoroethyl]-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-[1-fluoro-1-(2-fluorophenyl)ethyl]-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-(1-phenylethenyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?

3-[4-(5-chloro-3-pyridinyl)-2-[1-(2,4-difluorophenyl)-1-fluoroethyl]-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-[1-fluoro-1-(2-fluorophenyl)ethyl]-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-(1-phenylethenyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 1675.07 g/mol, XLogP of 19.89, 18 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-chloro-3-pyridinyl)-2-[1-(2,4-difluorophenyl)-1-fluoroethyl]-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-[1-fluoro-1-(2-fluorophenyl)ethyl]-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-(1-phenylethenyl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 159745333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).