2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid

C25H30N4O5 — CID 23935948

IUPAC2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
SMILESCCOC(=O)CNc1c(-c2cccc(C)c2)nc2cc(C(=O)NC(C(=O)O)C(C)CC)ccn12
InChIInChI=1S/C25H30N4O5/c1-5-16(4)21(25(32)33)28-24(31)18-10-11-29-19(13-18)27-22(17-9-7-8-15(3)12-17)23(29)26-14-20(30)34-6-2/h7-13,16,21,26H,5-6,14H2,1-4H3,(H,28,31)(H,32,33)
InChIKeyJKGFSGPPXZRBEL-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.51
Rot. Bonds10

About 2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid

2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid (PubChem CID 23935948) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
PubChem CID23935948
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
SMILESCCOC(=O)CNc1c(-c2cccc(C)c2)nc2cc(C(=O)NC(C(=O)O)C(C)CC)ccn12
InChIInChI=1S/C25H30N4O5/c1-5-16(4)21(25(32)33)28-24(31)18-10-11-29-19(13-18)27-22(17-9-7-8-15(3)12-17)23(29)26-14-20(30)34-6-2/h7-13,16,21,26H,5-6,14H2,1-4H3,(H,28,31)(H,32,33)
InChIKeyJKGFSGPPXZRBEL-UHFFFAOYSA-N
XLogP3.51
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid with MolForge

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Related Compounds

2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
CID 23962066
ethyl 2-[(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808590
3-[[3-[(2-methoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid
CID 23989597
2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
CID 23906157
[3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate
CID 42742883
2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
CID 23994341
2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 82032865
ethyl 2-[(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808619
2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
CID 23818934
2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid
CID 60858023
ethyl 2-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 808620
3-bromo-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 2887934

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid (CID 23935948) is 2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid is CCOC(=O)CNc1c(-c2cccc(C)c2)nc2cc(C(=O)NC(C(=O)O)C(C)CC)ccn12.
What is the InChIKey of 2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
The InChIKey is JKGFSGPPXZRBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-5-16(4)21(25(32)33)28-24(31)18-10-11-29-19(13-18)27-22(17-9-7-8-15(3)12-17)23(29)26-14-20(30)34-6-2/h7-13,16,21,26H,5-6,14H2,1-4H3,(H,28,31)(H,32,33).
What are the key properties of 2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid has a molecular weight of 466.54 g/mol, XLogP of 3.51, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 23935948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).