1-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]ethanone

C13H13N5O — CID 165131814

IUPAC1-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]ethanone
SMILESCC(=O)c1cc(C2CC2)cn2cc(CN=[N+]=[N-])nc12
InChIInChI=1S/C13H13N5O/c1-8(19)12-4-10(9-2-3-9)6-18-7-11(5-15-17-14)16-13(12)18/h4,6-7,9H,2-3,5H2,1H3
InChIKeyYCFHNNKRZFSUGM-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.22
Rot. Bonds4

About 1-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]ethanone

1-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]ethanone (PubChem CID 165131814) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]ethanone.

Molecular Properties

Compound Name1-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]ethanone
PubChem CID165131814
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name1-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]ethanone
SMILESCC(=O)c1cc(C2CC2)cn2cc(CN=[N+]=[N-])nc12
InChIInChI=1S/C13H13N5O/c1-8(19)12-4-10(9-2-3-9)6-18-7-11(5-15-17-14)16-13(12)18/h4,6-7,9H,2-3,5H2,1H3
InChIKeyYCFHNNKRZFSUGM-UHFFFAOYSA-N
XLogP3.22
TPSA83.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(azidomethyl)-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139487753
methyl 2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate;dihydrochloride
CID 165131040
ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
CID 139487362
2-(azidomethyl)-7-cyclopropylimidazo[1,2-b]pyridazine
CID 139487806
2-(azidomethyl)-6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridine
CID 139488323
1-(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)-N-methylmethanamine
CID 175623441
[8-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl carbamate
CID 175507912
ethyl 2-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
CID 165131768
N-[4-[(8-acetyl-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-2-pyridinyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 171758474
2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride
CID 165130814
2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile
CID 139487891
2-(chloromethyl)-6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridine
CID 139487322

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]ethanone?
The IUPAC name of 1-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]ethanone (CID 165131814) is 1-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]ethanone.
What is the SMILES notation for 1-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]ethanone?
The canonical SMILES for 1-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]ethanone is CC(=O)c1cc(C2CC2)cn2cc(CN=[N+]=[N-])nc12.
What is the InChIKey of 1-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]ethanone?
The InChIKey is YCFHNNKRZFSUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8(19)12-4-10(9-2-3-9)6-18-7-11(5-15-17-14)16-13(12)18/h4,6-7,9H,2-3,5H2,1H3.
What are the key properties of 1-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]ethanone?
1-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]ethanone has a molecular weight of 255.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]ethanone is sourced from PubChem (CID 165131814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).