3-[[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid

C25H20F3N3O4 — CID 90090971

IUPAC3-[[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid
SMILESCc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1C(=O)NC(CC(=O)O)c1ccccc1
InChIInChI=1S/C25H20F3N3O4/c1-14-23(25(34)30-19(12-21(32)33)15-6-3-2-4-7-15)31-11-5-8-20(24(31)29-14)35-13-16-17(26)9-10-18(27)22(16)28/h2-11,19H,12-13H2,1H3,(H,30,34)(H,32,33)
InChIKeyVLZLNQIANOIDCK-UHFFFAOYSA-N
MW483.45 g/mol
LogP4.58
Rot. Bonds8

About 3-[[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid

3-[[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid (PubChem CID 90090971) has the molecular formula C25H20F3N3O4 and a molecular weight of 483.45 g/mol. Its IUPAC name is 3-[[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid
PubChem CID90090971
Molecular FormulaC25H20F3N3O4
Molecular Weight483.45 g/mol
Exact Mass483.14
IUPAC Name3-[[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid
SMILESCc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1C(=O)NC(CC(=O)O)c1ccccc1
InChIInChI=1S/C25H20F3N3O4/c1-14-23(25(34)30-19(12-21(32)33)15-6-3-2-4-7-15)31-11-5-8-20(24(31)29-14)35-13-16-17(26)9-10-18(27)22(16)28/h2-11,19H,12-13H2,1H3,(H,30,34)(H,32,33)
InChIKeyVLZLNQIANOIDCK-UHFFFAOYSA-N
XLogP4.58
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3-[[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic 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 3-[[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid (CID 90090971) is 3-[[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid is Cc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1C(=O)NC(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-[[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid?
The InChIKey is VLZLNQIANOIDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O4/c1-14-23(25(34)30-19(12-21(32)33)15-6-3-2-4-7-15)31-11-5-8-20(24(31)29-14)35-13-16-17(26)9-10-18(27)22(16)28/h2-11,19H,12-13H2,1H3,(H,30,34)(H,32,33).
What are the key properties of 3-[[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid?
3-[[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid has a molecular weight of 483.45 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 90090971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).