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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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).