2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid

C14H18ClN3O2 — CID 43619667

IUPAC2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCc1cn2cc(Cl)ccc2n1)C(=O)O
InChIInChI=1S/C14H18ClN3O2/c1-3-6-14(2,13(19)20)16-7-11-9-18-8-10(15)4-5-12(18)17-11/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,19,20)
InChIKeyDSWWAERVZMOFMD-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.72
Rot. Bonds6

About 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid (PubChem CID 43619667) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid
PubChem CID43619667
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCc1cn2cc(Cl)ccc2n1)C(=O)O
InChIInChI=1S/C14H18ClN3O2/c1-3-6-14(2,13(19)20)16-7-11-9-18-8-10(15)4-5-12(18)17-11/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,19,20)
InChIKeyDSWWAERVZMOFMD-UHFFFAOYSA-N
XLogP2.72
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid (CID 43619667) is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid is CCCC(C)(NCc1cn2cc(Cl)ccc2n1)C(=O)O.
What is the InChIKey of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid?
The InChIKey is DSWWAERVZMOFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-3-6-14(2,13(19)20)16-7-11-9-18-8-10(15)4-5-12(18)17-11/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,19,20).
What are the key properties of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid?
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid has a molecular weight of 295.77 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methylpentanoic acid is sourced from PubChem (CID 43619667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).