4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoic acid

C18H17N3O3 — CID 916222

IUPAC4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoic acid
SMILESCc1ccn2cc(-c3cccc(NC(=O)CCC(=O)O)c3)nc2c1
InChIInChI=1S/C18H17N3O3/c1-12-7-8-21-11-15(20-16(21)9-12)13-3-2-4-14(10-13)19-17(22)5-6-18(23)24/h2-4,7-11H,5-6H2,1H3,(H,19,22)(H,23,24)
InChIKeyBLOMLUFRJUJUNS-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.11
Rot. Bonds5

About 4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoic acid

4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoic acid (PubChem CID 916222) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoic acid
PubChem CID916222
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoic acid
SMILESCc1ccn2cc(-c3cccc(NC(=O)CCC(=O)O)c3)nc2c1
InChIInChI=1S/C18H17N3O3/c1-12-7-8-21-11-15(20-16(21)9-12)13-3-2-4-14(10-13)19-17(22)5-6-18(23)24/h2-4,7-11H,5-6H2,1H3,(H,19,22)(H,23,24)
InChIKeyBLOMLUFRJUJUNS-UHFFFAOYSA-N
XLogP3.11
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoic acid?
The IUPAC name of 4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoic acid (CID 916222) is 4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoic acid?
The canonical SMILES for 4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoic acid is Cc1ccn2cc(-c3cccc(NC(=O)CCC(=O)O)c3)nc2c1.
What is the InChIKey of 4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoic acid?
The InChIKey is BLOMLUFRJUJUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-7-8-21-11-15(20-16(21)9-12)13-3-2-4-14(10-13)19-17(22)5-6-18(23)24/h2-4,7-11H,5-6H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoic acid?
4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoic acid has a molecular weight of 323.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobutanoic acid is sourced from PubChem (CID 916222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).