3-[4-(5-chloro-3-pyridinyl)-2-[(2,4-difluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

C28H27ClF2N6O3 — CID 90684189

About 3-[4-(5-chloro-3-pyridinyl)-2-[(2,4-difluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

3-[4-(5-chloro-3-pyridinyl)-2-[(2,4-difluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684189) has the molecular formula C28H27ClF2N6O3 and a molecular weight of 569.01 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[(2,4-difluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

• Compound Name: 3-[4-(5-chloro-3-pyridinyl)-2-[(2,4-difluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
• PubChem CID: 90684189
• Molecular Formula: C28H27ClF2N6O3
• Molecular Weight: 569.01 g/mol
• Exact Mass: 568.18
• IUPAC Name: 3-[4-(5-chloro-3-pyridinyl)-2-[(2,4-difluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
• SMILES: CC1CCC(Cn2c(C(O)c3ccc(F)cc3F)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
• InChI: InChI=1S/C28H27ClF2N6O3/c1-14-2-4-15(5-3-14)13-37-24-21(34-27(37)25(38)19-7-6-18(30)9-20(19)31)10-22(26-35-28(39)40-36-26)33-23(24)16-8-17(29)12-32-11-16/h6-12,14-15,25-26,36,38H,2-5,13H2,1H3,(H,35,39)
• InChIKey: LBYCAPXGUTWHTC-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 114.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.01
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[(2,4-difluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?

The IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[(2,4-difluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684189) is 3-[4-(5-chloro-3-pyridinyl)-2-[(2,4-difluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.

What is the SMILES notation for 3-[4-(5-chloro-3-pyridinyl)-2-[(2,4-difluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?

The canonical SMILES for 3-[4-(5-chloro-3-pyridinyl)-2-[(2,4-difluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(Cn2c(C(O)c3ccc(F)cc3F)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1.

What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-[(2,4-difluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?

The InChIKey is LBYCAPXGUTWHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClF2N6O3/c1-14-2-4-15(5-3-14)13-37-24-21(34-27(37)25(38)19-7-6-18(30)9-20(19)31)10-22(26-35-28(39)40-36-26)33-23(24)16-8-17(29)12-32-11-16/h6-12,14-15,25-26,36,38H,2-5,13H2,1H3,(H,35,39).

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

3-[4-(5-chloro-3-pyridinyl)-2-[(2,4-difluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 569.01 g/mol, XLogP of 5.58, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-chloro-3-pyridinyl)-2-[(2,4-difluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).