4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid

C21H17N3O3 — CID 23735799

IUPAC4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1c(-c2ccc3ccccc3c2)nc2ccccn12
InChIInChI=1S/C21H17N3O3/c25-18(10-11-19(26)27)23-21-20(22-17-7-3-4-12-24(17)21)16-9-8-14-5-1-2-6-15(14)13-16/h1-9,12-13H,10-11H2,(H,23,25)(H,26,27)
InChIKeyRMGFFEPCIDNGAB-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.96
Rot. Bonds5

About 4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid

4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid (PubChem CID 23735799) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid
PubChem CID23735799
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1c(-c2ccc3ccccc3c2)nc2ccccn12
InChIInChI=1S/C21H17N3O3/c25-18(10-11-19(26)27)23-21-20(22-17-7-3-4-12-24(17)21)16-9-8-14-5-1-2-6-15(14)13-16/h1-9,12-13H,10-11H2,(H,23,25)(H,26,27)
InChIKeyRMGFFEPCIDNGAB-UHFFFAOYSA-N
XLogP3.96
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylimidazo[1,2-a]pyridin-3-yl)pentanamide
CID 3828486
4-chloro-N-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 3452000
N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pentanamide
CID 42694061
3-bromo-N-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 4519965
2-methoxy-N-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 3833516
N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylsulfanylacetamide
CID 42693934
N-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-(4-fluorophenyl)acetamide
CID 42694680
2-methoxy-N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 42694050
3-cyclopentyl-N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 42694053
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)butanamide
CID 55387623
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-methoxyacetamide
CID 42694150
N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-methylbutanamide
CID 42881791

Frequently Asked Questions

What is the IUPAC name of 4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid (CID 23735799) is 4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1c(-c2ccc3ccccc3c2)nc2ccccn12.
What is the InChIKey of 4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid?
The InChIKey is RMGFFEPCIDNGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-18(10-11-19(26)27)23-21-20(22-17-7-3-4-12-24(17)21)16-9-8-14-5-1-2-6-15(14)13-16/h1-9,12-13H,10-11H2,(H,23,25)(H,26,27).
What are the key properties of 4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid?
4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid has a molecular weight of 359.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 23735799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).