2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide

About 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide

2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 155797821) has the molecular formula C28H34F2N4O5 and a molecular weight of 544.60 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name	2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID	155797821
Molecular Formula	C28H34F2N4O5
Molecular Weight	544.60 g/mol
Exact Mass	544.25
IUPAC Name	2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILES	COc1cc(-c2cnc3cc(OCCCN4CCCCC4)ccn23)cc(OC(F)F)c1C(=O)N[C@@H]1CC[C@H]1O
InChI	InChI=1S/C28H34F2N4O5/c1-37-23-14-18(15-24(39-28(29)30)26(23)27(36)32-20-6-7-22(20)35)21-17-31-25-16-19(8-12-34(21)25)38-13-5-11-33-9-3-2-4-10-33/h8,12,14-17,20,22,28,35H,2-7,9-11,13H2,1H3,(H,32,36)/t20-,22-/m1/s1
InChIKey	XZYGECNKBLOXNX-IFMALSPDSA-N
XLogP	4.12
TPSA	97.56 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	11
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.60
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide?

The IUPAC name of 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 155797821) is 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide.

What is the SMILES notation for 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide?

The canonical SMILES for 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide is COc1cc(-c2cnc3cc(OCCCN4CCCCC4)ccn23)cc(OC(F)F)c1C(=O)N[C@@H]1CC[C@H]1O.

What is the InChIKey of 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide?

The InChIKey is XZYGECNKBLOXNX-IFMALSPDSA-N. The full InChI is InChI=1S/C28H34F2N4O5/c1-37-23-14-18(15-24(39-28(29)30)26(23)27(36)32-20-6-7-22(20)35)21-17-31-25-16-19(8-12-34(21)25)38-13-5-11-33-9-3-2-4-10-33/h8,12,14-17,20,22,28,35H,2-7,9-11,13H2,1H3,(H,32,36)/t20-,22-/m1/s1.

What are the key properties of 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide?

2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 544.60 g/mol, XLogP of 4.12, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethoxy)-N-[(1R,2R)-2-hydroxycyclobutyl]-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 155797821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).