4-[2-oxo-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid

C28H26N4O4 — CID 56847807

IUPAC4-[2-oxo-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
SMILESO=C(O)c1ccc(N2CC3(CCN(Cc4c(-c5ccccc5)nc5ccccn45)CC3)OC2=O)cc1
InChIInChI=1S/C28H26N4O4/c33-26(34)21-9-11-22(12-10-21)32-19-28(36-27(32)35)13-16-30(17-14-28)18-23-25(20-6-2-1-3-7-20)29-24-8-4-5-15-31(23)24/h1-12,15H,13-14,16-19H2,(H,33,34)
InChIKeyLQXXIMRIIJKURS-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.69
Rot. Bonds5

About 4-[2-oxo-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid

4-[2-oxo-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (PubChem CID 56847807) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 4-[2-oxo-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-oxo-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
PubChem CID56847807
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name4-[2-oxo-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
SMILESO=C(O)c1ccc(N2CC3(CCN(Cc4c(-c5ccccc5)nc5ccccn45)CC3)OC2=O)cc1
InChIInChI=1S/C28H26N4O4/c33-26(34)21-9-11-22(12-10-21)32-19-28(36-27(32)35)13-16-30(17-14-28)18-23-25(20-6-2-1-3-7-20)29-24-8-4-5-15-31(23)24/h1-12,15H,13-14,16-19H2,(H,33,34)
InChIKeyLQXXIMRIIJKURS-UHFFFAOYSA-N
XLogP4.69
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-oxo-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
The IUPAC name of 4-[2-oxo-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (CID 56847807) is 4-[2-oxo-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.
What is the SMILES notation for 4-[2-oxo-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
The canonical SMILES for 4-[2-oxo-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is O=C(O)c1ccc(N2CC3(CCN(Cc4c(-c5ccccc5)nc5ccccn45)CC3)OC2=O)cc1.
What is the InChIKey of 4-[2-oxo-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
The InChIKey is LQXXIMRIIJKURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c33-26(34)21-9-11-22(12-10-21)32-19-28(36-27(32)35)13-16-30(17-14-28)18-23-25(20-6-2-1-3-7-20)29-24-8-4-5-15-31(23)24/h1-12,15H,13-14,16-19H2,(H,33,34).
What are the key properties of 4-[2-oxo-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?
4-[2-oxo-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid has a molecular weight of 482.54 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-8-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is sourced from PubChem (CID 56847807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).