1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3,3,3-trifluoropropan-1-ol

C24H27ClF3N5O3 — CID 137402735

About 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3,3,3-trifluoropropan-1-ol

1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3,3,3-trifluoropropan-1-ol (PubChem CID 137402735) has the molecular formula C24H27ClF3N5O3 and a molecular weight of 525.96 g/mol. Its IUPAC name is 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3,3,3-trifluoropropan-1-ol.

Molecular Properties

• Compound Name: 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3,3,3-trifluoropropan-1-ol
• PubChem CID: 137402735
• Molecular Formula: C24H27ClF3N5O3
• Molecular Weight: 525.96 g/mol
• Exact Mass: 525.18
• IUPAC Name: 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3,3,3-trifluoropropan-1-ol
• SMILES: OC(CC(F)(F)F)N1CCC(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)CC1
• InChI: InChI=1S/C24H27ClF3N5O3/c25-18-13-19-22(30-21(18)15-1-3-16(4-2-15)32-9-11-35-12-10-32)31-23(29-19)36-17-5-7-33(8-6-17)20(34)14-24(26,27)28/h1-4,13,17,20,34H,5-12,14H2,(H,29,30,31)
• InChIKey: VVTQEKQNNGGKOT-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 86.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.96
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3,3,3-trifluoropropan-1-ol?

The IUPAC name of 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3,3,3-trifluoropropan-1-ol (CID 137402735) is 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3,3,3-trifluoropropan-1-ol.

What is the SMILES notation for 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3,3,3-trifluoropropan-1-ol?

The canonical SMILES for 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3,3,3-trifluoropropan-1-ol is OC(CC(F)(F)F)N1CCC(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)CC1.

What is the InChIKey of 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3,3,3-trifluoropropan-1-ol?

The InChIKey is VVTQEKQNNGGKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF3N5O3/c25-18-13-19-22(30-21(18)15-1-3-16(4-2-15)32-9-11-35-12-10-32)31-23(29-19)36-17-5-7-33(8-6-17)20(34)14-24(26,27)28/h1-4,13,17,20,34H,5-12,14H2,(H,29,30,31).

What are the key properties of 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3,3,3-trifluoropropan-1-ol?

1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3,3,3-trifluoropropan-1-ol has a molecular weight of 525.96 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidin-1-yl]-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 137402735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).