3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(1,3-thiazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

C28H30ClN7O3S — CID 137155411

About 3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(1,3-thiazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(1,3-thiazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 137155411) has the molecular formula C28H30ClN7O3S and a molecular weight of 580.11 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(1,3-thiazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)ethyl]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(1,3-thiazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 137155411
• Molecular Formula: C28H30ClN7O3S
• Molecular Weight: 580.11 g/mol
• Exact Mass: 579.18
• IUPAC Name: 3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(1,3-thiazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• SMILES: CCOC(c1cscn1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C(C)C1CCC(C)CC1
• InChI: InChI=1S/C28H30ClN7O3S/c1-4-38-25(22-13-40-14-31-22)27-33-20-10-21(26-34-28(37)39-35-26)32-23(18-9-19(29)12-30-11-18)24(20)36(27)16(3)17-7-5-15(2)6-8-17/h9-17,25H,4-8H2,1-3H3,(H,34,35,37)
• InChIKey: MNALFBXULJAEKS-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 124.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.11
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(1,3-thiazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)ethyl]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(1,3-thiazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 137155411) is 3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(1,3-thiazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)ethyl]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(1,3-thiazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)ethyl]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(1,3-thiazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is CCOC(c1cscn1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C(C)C1CCC(C)CC1.

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

The InChIKey is MNALFBXULJAEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN7O3S/c1-4-38-25(22-13-40-14-31-22)27-33-20-10-21(26-34-28(37)39-35-26)32-23(18-9-19(29)12-30-11-18)24(20)36(27)16(3)17-7-5-15(2)6-8-17/h9-17,25H,4-8H2,1-3H3,(H,34,35,37).

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

3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(1,3-thiazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 580.11 g/mol, XLogP of 6.46, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-chloro-3-pyridinyl)-2-[ethoxy(1,3-thiazol-4-yl)methyl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 137155411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).