[8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate

C13H14ClN3O2 — CID 175507912

IUPAC[8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate
SMILESNC(=O)OCc1cn2cc(C3CC3)cc(CCl)c2n1
InChIInChI=1S/C13H14ClN3O2/c14-4-9-3-10(8-1-2-8)5-17-6-11(16-12(9)17)7-19-13(15)18/h3,5-6,8H,1-2,4,7H2,(H2,15,18)
InChIKeyCYYKTVJBFNOQMR-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.55
Rot. Bonds4

About [8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate

[8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate (PubChem CID 175507912) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is [8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate.

Molecular Properties

Compound Name[8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate
PubChem CID175507912
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name[8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate
SMILESNC(=O)OCc1cn2cc(C3CC3)cc(CCl)c2n1
InChIInChI=1S/C13H14ClN3O2/c14-4-9-3-10(8-1-2-8)5-17-6-11(16-12(9)17)7-19-13(15)18/h3,5-6,8H,1-2,4,7H2,(H2,15,18)
InChIKeyCYYKTVJBFNOQMR-UHFFFAOYSA-N
XLogP2.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
CID 165131768
[6-cyclopropyl-8-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl N-tert-butylcarbamate
CID 170774692
ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
CID 139487362
benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
CID 153431050
2-(chloromethyl)-6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridine
CID 139487322
(Z)-2-amino-3-[amino-[[6-cyclopropyl-8-(2-oxoethoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]amino]prop-2-enal
CID 153343673
8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine
CID 170693422
methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride
CID 165131040
benzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
CID 139487461
2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile
CID 139487891
benzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
CID 139488046
1-(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)-N-methylmethanamine
CID 175623441

Frequently Asked Questions

What is the IUPAC name of [8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate?
The IUPAC name of [8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate (CID 175507912) is [8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate.
What is the SMILES notation for [8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate?
The canonical SMILES for [8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate is NC(=O)OCc1cn2cc(C3CC3)cc(CCl)c2n1.
What is the InChIKey of [8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate?
The InChIKey is CYYKTVJBFNOQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c14-4-9-3-10(8-1-2-8)5-17-6-11(16-12(9)17)7-19-13(15)18/h3,5-6,8H,1-2,4,7H2,(H2,15,18).
What are the key properties of [8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate?
[8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate has a molecular weight of 279.73 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate is sourced from PubChem (CID 175507912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).