[1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol

C28H30F3N5O2 — CID 118235677

About [1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol

[1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol (PubChem CID 118235677) has the molecular formula C28H30F3N5O2 and a molecular weight of 525.58 g/mol. Its IUPAC name is [1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol.

Molecular Properties

• Compound Name: [1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol
• PubChem CID: 118235677
• Molecular Formula: C28H30F3N5O2
• Molecular Weight: 525.58 g/mol
• Exact Mass: 525.24
• IUPAC Name: [1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol
• SMILES: Cc1nc2cc(F)c(-c3cnc(N4CCC(C)(CO)CC4)nc3)cn2c1C(C)c1ccccc1OC(F)F
• InChI: InChI=1S/C28H30F3N5O2/c1-17(20-6-4-5-7-23(20)38-26(30)31)25-18(2)34-24-12-22(29)21(15-36(24)25)19-13-32-27(33-14-19)35-10-8-28(3,16-37)9-11-35/h4-7,12-15,17,26,37H,8-11,16H2,1-3H3
• InChIKey: MCAIMJRTNXXDRM-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 75.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.58
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol?

The IUPAC name of [1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol (CID 118235677) is [1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol.

What is the SMILES notation for [1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol?

The canonical SMILES for [1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol is Cc1nc2cc(F)c(-c3cnc(N4CCC(C)(CO)CC4)nc3)cn2c1C(C)c1ccccc1OC(F)F.

What is the InChIKey of [1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol?

The InChIKey is MCAIMJRTNXXDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N5O2/c1-17(20-6-4-5-7-23(20)38-26(30)31)25-18(2)34-24-12-22(29)21(15-36(24)25)19-13-32-27(33-14-19)35-10-8-28(3,16-37)9-11-35/h4-7,12-15,17,26,37H,8-11,16H2,1-3H3.

What are the key properties of [1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol?

[1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol has a molecular weight of 525.58 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[5-[3-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]methanol is sourced from PubChem (CID 118235677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).