5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol

C28H30FN5O2 — CID 168895656

About 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol

5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol (PubChem CID 168895656) has the molecular formula C28H30FN5O2 and a molecular weight of 487.58 g/mol. Its IUPAC name is 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol.

Molecular Properties

• Compound Name: 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol
• PubChem CID: 168895656
• Molecular Formula: C28H30FN5O2
• Molecular Weight: 487.58 g/mol
• Exact Mass: 487.24
• IUPAC Name: 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol
• SMILES: Cc1cn2cc(-c3ccc(-c4ccc(C5CN(C(C)C6CCCCO6)C5)nn4)c(O)c3)cc(F)c2n1
• InChI: InChI=1S/C28H30FN5O2/c1-17-13-34-14-20(11-23(29)28(34)30-17)19-6-7-22(26(35)12-19)25-9-8-24(31-32-25)21-15-33(16-21)18(2)27-5-3-4-10-36-27/h6-9,11-14,18,21,27,35H,3-5,10,15-16H2,1-2H3
• InChIKey: JASKIMADXUMAQX-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 75.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.58
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol?

The IUPAC name of 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol (CID 168895656) is 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol.

What is the SMILES notation for 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol?

The canonical SMILES for 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol is Cc1cn2cc(-c3ccc(-c4ccc(C5CN(C(C)C6CCCCO6)C5)nn4)c(O)c3)cc(F)c2n1.

What is the InChIKey of 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol?

The InChIKey is JASKIMADXUMAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O2/c1-17-13-34-14-20(11-23(29)28(34)30-17)19-6-7-22(26(35)12-19)25-9-8-24(31-32-25)21-15-33(16-21)18(2)27-5-3-4-10-36-27/h6-9,11-14,18,21,27,35H,3-5,10,15-16H2,1-2H3.

What are the key properties of 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol?

5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol has a molecular weight of 487.58 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[6-[1-[1-(oxan-2-yl)ethyl]azetidin-3-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 168895656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).