3-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-3-azabicyclo[3.1.0]hexan-2-one

C16H17N3O2 — CID 165131828

IUPAC3-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1C2CC2CN1c1cc(C2CC2)cn2cc(CO)nc12
InChIInChI=1S/C16H17N3O2/c20-8-12-7-18-5-10(9-1-2-9)4-14(15(18)17-12)19-6-11-3-13(11)16(19)21/h4-5,7,9,11,13,20H,1-3,6,8H2
InChIKeyGNJSXBGUKXXTQH-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.69
Rot. Bonds3

About 3-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-3-azabicyclo[3.1.0]hexan-2-one

3-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 165131828) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name3-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID165131828
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1C2CC2CN1c1cc(C2CC2)cn2cc(CO)nc12
InChIInChI=1S/C16H17N3O2/c20-8-12-7-18-5-10(9-1-2-9)4-14(15(18)17-12)19-6-11-3-13(11)16(19)21/h4-5,7,9,11,13,20H,1-3,6,8H2
InChIKeyGNJSXBGUKXXTQH-UHFFFAOYSA-N
XLogP1.69
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-4H-pyrimidine-5,6-dione
CID 160557487
trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132322
trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132626
1-(6-cyclopropyl-2-ethylimidazo[1,2-a]pyridin-8-yl)-3-methylimidazolidine-2,4-dione
CID 165133017
1-[2-(bromomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165132705
N-[6-[[(1R)-1-[6-cyclopropyl-8-[(1S,5R)-2-oxo-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 171758664
1-[6-cyclopropyl-2-[(4-methylpyrazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]pyrrolidin-2-one
CID 139498993
1-[2-(1-amino-2-hydroxyethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165133453
1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165132489
4-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]piperazin-2-one
CID 165132808
1-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione;hydrochloride
CID 176882992
2-[(Z)-2-amino-1-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]ethenyl]guanidine
CID 165132125

Frequently Asked Questions

What is the IUPAC name of 3-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 3-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-3-azabicyclo[3.1.0]hexan-2-one (CID 165131828) is 3-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 3-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 3-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-3-azabicyclo[3.1.0]hexan-2-one is O=C1C2CC2CN1c1cc(C2CC2)cn2cc(CO)nc12.
What is the InChIKey of 3-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is GNJSXBGUKXXTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-8-12-7-18-5-10(9-1-2-9)4-14(15(18)17-12)19-6-11-3-13(11)16(19)21/h4-5,7,9,11,13,20H,1-3,6,8H2.
What are the key properties of 3-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-3-azabicyclo[3.1.0]hexan-2-one?
3-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 283.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-cyclopropyl-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 165131828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).