N-cyclopropylformamide;2-[3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridin-7-yl]-1-morpholin-4-ylpropan-2-ol

C27H34F2N4O5 — CID 155727628

About N-cyclopropylformamide;2-[3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridin-7-yl]-1-morpholin-4-ylpropan-2-ol

N-cyclopropylformamide;2-[3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridin-7-yl]-1-morpholin-4-ylpropan-2-ol (PubChem CID 155727628) has the molecular formula C27H34F2N4O5 and a molecular weight of 532.59 g/mol. Its IUPAC name is N-cyclopropylformamide;2-[3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridin-7-yl]-1-morpholin-4-ylpropan-2-ol.

Molecular Properties

• Compound Name: N-cyclopropylformamide;2-[3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridin-7-yl]-1-morpholin-4-ylpropan-2-ol
• PubChem CID: 155727628
• Molecular Formula: C27H34F2N4O5
• Molecular Weight: 532.59 g/mol
• Exact Mass: 532.25
• IUPAC Name: N-cyclopropylformamide;2-[3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridin-7-yl]-1-morpholin-4-ylpropan-2-ol
• SMILES: COc1cc(-c2cnc3cc(C(C)(O)CN4CCOCC4)ccn23)cc(OC(F)F)c1C.O=CNC1CC1
• InChI: InChI=1S/C23H27F2N3O4.C4H7NO/c1-15-19(30-3)10-16(11-20(15)32-22(24)25)18-13-26-21-12-17(4-5-28(18)21)23(2,29)14-27-6-8-31-9-7-27;6-3-5-4-1-2-4/h4-5,10-13,22,29H,6-9,14H2,1-3H3;3-4H,1-2H2,(H,5,6)
• InChIKey: HSQYLWGMMZRSPA-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 97.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.59
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylformamide;2-[3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridin-7-yl]-1-morpholin-4-ylpropan-2-ol?

The IUPAC name of N-cyclopropylformamide;2-[3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridin-7-yl]-1-morpholin-4-ylpropan-2-ol (CID 155727628) is N-cyclopropylformamide;2-[3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridin-7-yl]-1-morpholin-4-ylpropan-2-ol.

What is the SMILES notation for N-cyclopropylformamide;2-[3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridin-7-yl]-1-morpholin-4-ylpropan-2-ol?

The canonical SMILES for N-cyclopropylformamide;2-[3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridin-7-yl]-1-morpholin-4-ylpropan-2-ol is COc1cc(-c2cnc3cc(C(C)(O)CN4CCOCC4)ccn23)cc(OC(F)F)c1C.O=CNC1CC1.

What is the InChIKey of N-cyclopropylformamide;2-[3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridin-7-yl]-1-morpholin-4-ylpropan-2-ol?

The InChIKey is HSQYLWGMMZRSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O4.C4H7NO/c1-15-19(30-3)10-16(11-20(15)32-22(24)25)18-13-26-21-12-17(4-5-28(18)21)23(2,29)14-27-6-8-31-9-7-27;6-3-5-4-1-2-4/h4-5,10-13,22,29H,6-9,14H2,1-3H3;3-4H,1-2H2,(H,5,6).

What are the key properties of N-cyclopropylformamide;2-[3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridin-7-yl]-1-morpholin-4-ylpropan-2-ol?

N-cyclopropylformamide;2-[3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridin-7-yl]-1-morpholin-4-ylpropan-2-ol has a molecular weight of 532.59 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropylformamide;2-[3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridin-7-yl]-1-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 155727628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).