3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(pyridin-2-yl)methyl]-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-[ethoxy(pyridin-3-yl)methyl]-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-fluorobenzoyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one — IUPAC name, SMILES, InChIKey & properties

Name: 3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(pyridin-2-yl)methyl]-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-[ethoxy(pyridin-3-yl)methyl]-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-fluorobenzoyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(pyridin-2-yl)methyl]-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-[ethoxy(pyridin-3-yl)methyl]-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-fluorobenzoyl)-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-[ethoxy(pyridin-2-yl)methyl]-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-[ethoxy(pyridin-3-yl)methyl]-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-fluorobenzoyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 157130282) has the molecular formula C86H84Cl3FN20O9 and a molecular weight of 1667.11 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(pyridin-2-yl)methyl]-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-[ethoxy(pyridin-3-yl)methyl]-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-fluorobenzoyl)-3-[(4-methylcyclohexyl)methyl]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-[ethoxy(pyridin-2-yl)methyl]-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-[ethoxy(pyridin-3-yl)methyl]-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-fluorobenzoyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID	157130282
Molecular Formula	C86H84Cl3FN20O9
Molecular Weight	1667.11 g/mol
Exact Mass	1664.58
IUPAC Name	3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(pyridin-2-yl)methyl]-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-[ethoxy(pyridin-3-yl)methyl]-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-fluorobenzoyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILES	CC1CCC(Cn2c(C(=O)c3ccccc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CCOC(c1ccccn1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.CCOC(c1cccnc1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1
InChI	InChI=1S/2C29H30ClN7O3.C28H24ClFN6O3/c1-3-39-26(19-5-4-10-31-13-19)28-34-22-12-23(27-35-29(38)40-36-27)33-24(20-11-21(30)15-32-14-20)25(22)37(28)16-18-8-6-17(2)7-9-18;1-3-39-26(21-6-4-5-11-32-21)28-34-22-13-23(27-35-29(38)40-36-27)33-24(19-12-20(30)15-31-14-19)25(22)37(28)16-18-9-7-17(2)8-10-18;1-15-6-8-16(9-7-15)14-36-24-21(33-27(36)25(37)19-4-2-3-5-20(19)30)11-22(26-34-28(38)39-35-26)32-23(24)17-10-18(29)13-31-12-17/h4-5,10-15,17-18,26H,3,6-9,16H2,1-2H3,(H,35,36,38);4-6,11-15,17-18,26H,3,7-10,16H2,1-2H3,(H,35,36,38);2-5,10-13,15-16H,6-9,14H2,1H3,(H,34,35,38)
InChIKey	AIZIKYYRIDFHSL-UHFFFAOYSA-N
XLogP	17.36
TPSA	368.78 Å²
H-Bond Donors	3
H-Bond Acceptors	26
Rotatable Bonds	22
Heavy Atoms	119
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1667.11
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(pyridin-2-yl)methyl]-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-[ethoxy(pyridin-3-yl)methyl]-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-fluorobenzoyl)-3-[(4-methylcyclohexyl)methyl]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-[ethoxy(pyridin-2-yl)methyl]-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-[ethoxy(pyridin-3-yl)methyl]-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-fluorobenzoyl)-3-[(4-methylcyclohexyl)methyl]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-[ethoxy(pyridin-2-yl)methyl]-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-[ethoxy(pyridin-3-yl)methyl]-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-fluorobenzoyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 157130282) is 3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(pyridin-2-yl)methyl]-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-[ethoxy(pyridin-3-yl)methyl]-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-fluorobenzoyl)-3-[(4-methylcyclohexyl)methyl]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-[ethoxy(pyridin-2-yl)methyl]-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-[ethoxy(pyridin-3-yl)methyl]-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-fluorobenzoyl)-3-[(4-methylcyclohexyl)methyl]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-[ethoxy(pyridin-2-yl)methyl]-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-[ethoxy(pyridin-3-yl)methyl]-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-fluorobenzoyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is CC1CCC(Cn2c(C(=O)c3ccccc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CCOC(c1ccccn1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.CCOC(c1cccnc1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.

What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(pyridin-2-yl)methyl]-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-[ethoxy(pyridin-3-yl)methyl]-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-fluorobenzoyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?

The InChIKey is AIZIKYYRIDFHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H30ClN7O3.C28H24ClFN6O3/c1-3-39-26(19-5-4-10-31-13-19)28-34-22-12-23(27-35-29(38)40-36-27)33-24(20-11-21(30)15-32-14-20)25(22)37(28)16-18-8-6-17(2)7-9-18;1-3-39-26(21-6-4-5-11-32-21)28-34-22-13-23(27-35-29(38)40-36-27)33-24(19-12-20(30)15-31-14-19)25(22)37(28)16-18-9-7-17(2)8-10-18;1-15-6-8-16(9-7-15)14-36-24-21(33-27(36)25(37)19-4-2-3-5-20(19)30)11-22(26-34-28(38)39-35-26)32-23(24)17-10-18(29)13-31-12-17/h4-5,10-15,17-18,26H,3,6-9,16H2,1-2H3,(H,35,36,38);4-6,11-15,17-18,26H,3,7-10,16H2,1-2H3,(H,35,36,38);2-5,10-13,15-16H,6-9,14H2,1H3,(H,34,35,38).

What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(pyridin-2-yl)methyl]-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-[ethoxy(pyridin-3-yl)methyl]-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-fluorobenzoyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?

Where does this data come from?

All data for 3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(pyridin-2-yl)methyl]-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-[ethoxy(pyridin-3-yl)methyl]-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-fluorobenzoyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 157130282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).