methyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate

C13H17N3O2 — CID 66098741

IUPACmethyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate
SMILESCOC(=O)CC(c1cn2ccccc2n1)C(C)N
InChIInChI=1S/C13H17N3O2/c1-9(14)10(7-13(17)18-2)11-8-16-6-4-3-5-12(16)15-11/h3-6,8-10H,7,14H2,1-2H3
InChIKeyXAVXZNIQTUDOBA-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.33
Rot. Bonds4

About methyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate

methyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate (PubChem CID 66098741) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is methyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate
PubChem CID66098741
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Namemethyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate
SMILESCOC(=O)CC(c1cn2ccccc2n1)C(C)N
InChIInChI=1S/C13H17N3O2/c1-9(14)10(7-13(17)18-2)11-8-16-6-4-3-5-12(16)15-11/h3-6,8-10H,7,14H2,1-2H3
InChIKeyXAVXZNIQTUDOBA-UHFFFAOYSA-N
XLogP1.33
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-2-imidazo[1,2-a]pyridin-2-ylacetate
CID 70818317
4-amino-3-imidazo[1,2-a]pyridin-2-ylhexan-1-ol
CID 66092183
(1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride
CID 155970924
benzyl N-[(1R)-1-imidazo[1,2-a]pyridin-2-ylethyl]carbamate
CID 58796844
(1S)-1-imidazo[1,2-a]pyridin-2-ylpropan-1-amine
CID 95048230
2-amino-1-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-1-ol
CID 115347502
N-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 60716999
methyl 2-[imidazo[1,2-a]pyridine-2-carbonyl(methyl)amino]acetate
CID 43408804
N-(2-methoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51253266
2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 103973250
N-(aminomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 66612183
5-amino-4-imidazo[1,2-a]pyridin-2-ylpentan-2-ol
CID 81422720

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate?
The IUPAC name of methyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate (CID 66098741) is methyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate.
What is the SMILES notation for methyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate?
The canonical SMILES for methyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate is COC(=O)CC(c1cn2ccccc2n1)C(C)N.
What is the InChIKey of methyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate?
The InChIKey is XAVXZNIQTUDOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(14)10(7-13(17)18-2)11-8-16-6-4-3-5-12(16)15-11/h3-6,8-10H,7,14H2,1-2H3.
What are the key properties of methyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate?
methyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate has a molecular weight of 247.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-imidazo[1,2-a]pyridin-2-ylpentanoate is sourced from PubChem (CID 66098741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).