2-(difluoromethoxy)-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzoic acid

C24H27F2N3O5 — CID 146275196

IUPAC2-(difluoromethoxy)-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzoic acid
SMILESCOc1cc(-c2cnc3cc(OCCCN4CCCCC4)ccn23)cc(OC(F)F)c1C(=O)O
InChIInChI=1S/C24H27F2N3O5/c1-32-19-12-16(13-20(34-24(25)26)22(19)23(30)31)18-15-27-21-14-17(6-10-29(18)21)33-11-5-9-28-7-3-2-4-8-28/h6,10,12-15,24H,2-5,7-9,11H2,1H3,(H,30,31)
InChIKeyDDNMZJBHOULNJP-UHFFFAOYSA-N
MW475.49 g/mol
LogP4.56
Rot. Bonds10

About 2-(difluoromethoxy)-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzoic acid

2-(difluoromethoxy)-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzoic acid (PubChem CID 146275196) has the molecular formula C24H27F2N3O5 and a molecular weight of 475.49 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzoic acid.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzoic acid
PubChem CID146275196
Molecular FormulaC24H27F2N3O5
Molecular Weight475.49 g/mol
Exact Mass475.19
IUPAC Name2-(difluoromethoxy)-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzoic acid
SMILESCOc1cc(-c2cnc3cc(OCCCN4CCCCC4)ccn23)cc(OC(F)F)c1C(=O)O
InChIInChI=1S/C24H27F2N3O5/c1-32-19-12-16(13-20(34-24(25)26)22(19)23(30)31)18-15-27-21-14-17(6-10-29(18)21)33-11-5-9-28-7-3-2-4-8-28/h6,10,12-15,24H,2-5,7-9,11H2,1H3,(H,30,31)
InChIKeyDDNMZJBHOULNJP-UHFFFAOYSA-N
XLogP4.56
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzoic acid?
The IUPAC name of 2-(difluoromethoxy)-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzoic acid (CID 146275196) is 2-(difluoromethoxy)-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzoic acid.
What is the SMILES notation for 2-(difluoromethoxy)-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzoic acid?
The canonical SMILES for 2-(difluoromethoxy)-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzoic acid is COc1cc(-c2cnc3cc(OCCCN4CCCCC4)ccn23)cc(OC(F)F)c1C(=O)O.
What is the InChIKey of 2-(difluoromethoxy)-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzoic acid?
The InChIKey is DDNMZJBHOULNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O5/c1-32-19-12-16(13-20(34-24(25)26)22(19)23(30)31)18-15-27-21-14-17(6-10-29(18)21)33-11-5-9-28-7-3-2-4-8-28/h6,10,12-15,24H,2-5,7-9,11H2,1H3,(H,30,31).
What are the key properties of 2-(difluoromethoxy)-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzoic acid?
2-(difluoromethoxy)-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzoic acid has a molecular weight of 475.49 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-6-methoxy-4-[7-(3-piperidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]benzoic acid is sourced from PubChem (CID 146275196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).