3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid

C12H11ClN4O3 — CID 122060780

IUPAC3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNc1nc2cc(Cl)ccn2c1C#N)C(=O)O
InChIInChI=1S/C12H11ClN4O3/c1-12(20,11(18)19)6-15-10-8(5-14)17-3-2-7(13)4-9(17)16-10/h2-4,15,20H,6H2,1H3,(H,18,19)
InChIKeyPANWQJQKKZBJNY-UHFFFAOYSA-N
MW294.70 g/mol
LogP1.11
Rot. Bonds4

About 3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122060780) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is 3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122060780
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC Name3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNc1nc2cc(Cl)ccn2c1C#N)C(=O)O
InChIInChI=1S/C12H11ClN4O3/c1-12(20,11(18)19)6-15-10-8(5-14)17-3-2-7(13)4-9(17)16-10/h2-4,15,20H,6H2,1H3,(H,18,19)
InChIKeyPANWQJQKKZBJNY-UHFFFAOYSA-N
XLogP1.11
TPSA110.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid (CID 122060780) is 3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNc1nc2cc(Cl)ccn2c1C#N)C(=O)O.
What is the InChIKey of 3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is PANWQJQKKZBJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c1-12(20,11(18)19)6-15-10-8(5-14)17-3-2-7(13)4-9(17)16-10/h2-4,15,20H,6H2,1H3,(H,18,19).
What are the key properties of 3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 294.70 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122060780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).