methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate

C15H19N3O2 — CID 117255978

IUPACmethyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2ncc(CNC3CCCC3)n12
InChIInChI=1S/C15H19N3O2/c1-20-15(19)13-7-4-8-14-17-10-12(18(13)14)9-16-11-5-2-3-6-11/h4,7-8,10-11,16H,2-3,5-6,9H2,1H3
InChIKeyLTJYVUDIXIEZPI-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.15
Rot. Bonds4

About methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate

methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 117255978) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate
PubChem CID117255978
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2ncc(CNC3CCCC3)n12
InChIInChI=1S/C15H19N3O2/c1-20-15(19)13-7-4-8-14-17-10-12(18(13)14)9-16-11-5-2-3-6-11/h4,7-8,10-11,16H,2-3,5-6,9H2,1H3
InChIKeyLTJYVUDIXIEZPI-UHFFFAOYSA-N
XLogP2.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255995
methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117256025
methyl 3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylate
CID 117142874
methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate
CID 117142870
methyl 3-(thian-2-ylmethyl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117142671
methyl 3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117257056
N-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 146127945
methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate
CID 117142779
2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255785
3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255986
methyl 3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257442
methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117142725

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate (CID 117255978) is methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1cccc2ncc(CNC3CCCC3)n12.
What is the InChIKey of methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is LTJYVUDIXIEZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-15(19)13-7-4-8-14-17-10-12(18(13)14)9-16-11-5-2-3-6-11/h4,7-8,10-11,16H,2-3,5-6,9H2,1H3.
What are the key properties of methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 117255978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).