4-[3-[6-fluoro-3-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl]phenyl]-3-(morpholin-4-ylmethyl)phenol

C39H44FN7O2 — CID 154222107

About 4-[3-[6-fluoro-3-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl]phenyl]-3-(morpholin-4-ylmethyl)phenol

4-[3-[6-fluoro-3-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl]phenyl]-3-(morpholin-4-ylmethyl)phenol (PubChem CID 154222107) has the molecular formula C39H44FN7O2 and a molecular weight of 661.83 g/mol. Its IUPAC name is 4-[3-[6-fluoro-3-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl]phenyl]-3-(morpholin-4-ylmethyl)phenol.

Molecular Properties

• Compound Name: 4-[3-[6-fluoro-3-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl]phenyl]-3-(morpholin-4-ylmethyl)phenol
• PubChem CID: 154222107
• Molecular Formula: C39H44FN7O2
• Molecular Weight: 661.83 g/mol
• Exact Mass: 661.35
• IUPAC Name: 4-[3-[6-fluoro-3-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl]phenyl]-3-(morpholin-4-ylmethyl)phenol
• SMILES: Cc1ccc2nc(CNC3CCC(N4Cc5cc(F)cnc5N(c5cccc(-c6ccc(O)cc6CN6CCOCC6)c5)C4)CC3)cn2c1
• InChI: InChI=1S/C39H44FN7O2/c1-27-5-12-38-43-33(25-45(38)22-27)21-41-32-6-8-34(9-7-32)46-24-30-17-31(40)20-42-39(30)47(26-46)35-4-2-3-28(18-35)37-11-10-36(48)19-29(37)23-44-13-15-49-16-14-44/h2-5,10-12,17-20,22,25,32,34,41,48H,6-9,13-16,21,23-24,26H2,1H3
• InChIKey: HREPWTOWQRXASQ-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 81.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.83
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-fluoro-3-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl]phenyl]-3-(morpholin-4-ylmethyl)phenol?

The IUPAC name of 4-[3-[6-fluoro-3-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl]phenyl]-3-(morpholin-4-ylmethyl)phenol (CID 154222107) is 4-[3-[6-fluoro-3-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl]phenyl]-3-(morpholin-4-ylmethyl)phenol.

What is the SMILES notation for 4-[3-[6-fluoro-3-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl]phenyl]-3-(morpholin-4-ylmethyl)phenol?

The canonical SMILES for 4-[3-[6-fluoro-3-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl]phenyl]-3-(morpholin-4-ylmethyl)phenol is Cc1ccc2nc(CNC3CCC(N4Cc5cc(F)cnc5N(c5cccc(-c6ccc(O)cc6CN6CCOCC6)c5)C4)CC3)cn2c1.

What is the InChIKey of 4-[3-[6-fluoro-3-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl]phenyl]-3-(morpholin-4-ylmethyl)phenol?

The InChIKey is HREPWTOWQRXASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44FN7O2/c1-27-5-12-38-43-33(25-45(38)22-27)21-41-32-6-8-34(9-7-32)46-24-30-17-31(40)20-42-39(30)47(26-46)35-4-2-3-28(18-35)37-11-10-36(48)19-29(37)23-44-13-15-49-16-14-44/h2-5,10-12,17-20,22,25,32,34,41,48H,6-9,13-16,21,23-24,26H2,1H3.

What are the key properties of 4-[3-[6-fluoro-3-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl]phenyl]-3-(morpholin-4-ylmethyl)phenol?

4-[3-[6-fluoro-3-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl]phenyl]-3-(morpholin-4-ylmethyl)phenol has a molecular weight of 661.83 g/mol, XLogP of 6.39, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[6-fluoro-3-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl]phenyl]-3-(morpholin-4-ylmethyl)phenol is sourced from PubChem (CID 154222107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).