tert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

C17H23N3O2 — CID 126698998

IUPACtert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC2(C2=CN3C=CC=CC3N2)C1
InChIInChI=1S/C17H23N3O2/c1-16(2,3)22-15(21)20-9-12-8-17(12,11-20)13-10-19-7-5-4-6-14(19)18-13/h4-7,10,12,14,18H,8-9,11H2,1-3H3
InChIKeyDUWCAHAXOBUWMR-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.40
Rot. Bonds1

About tert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 126698998) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is tert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID126698998
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Nametert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2CC2(C2=CN3C=CC=CC3N2)C1
InChIInChI=1S/C17H23N3O2/c1-16(2,3)22-15(21)20-9-12-8-17(12,11-20)13-10-19-7-5-4-6-14(19)18-13/h4-7,10,12,14,18H,8-9,11H2,1-3H3
InChIKeyDUWCAHAXOBUWMR-UHFFFAOYSA-N
XLogP2.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 1-(4-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 71250613
tert-butyl 1-[4-(bromomethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 76565056
tert-butyl (1R,5R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 86699315
(1S,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 167994280
(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 97291630
tert-butyl 1-methyl-7-oxo-3-azabicyclo[3.2.0]heptane-3-carboxylate
CID 53408539
tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 130346995
(3aR,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,4,6,6a-tetrahydro-1H-pyrrolo[2,3-c]pyrrole-3a-carboxylic acid
CID 71305758
tert-butyl (1S,5R)-1-[4-[(4-propan-2-ylphenyl)methylsulfanyl]phenyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 90845679
tert-butyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 156674762
(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.2.0]heptane-1-carboxylic acid
CID 97112153
tert-butyl 1-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 71250569

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 126698998) is tert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is CC(C)(C)OC(=O)N1CC2CC2(C2=CN3C=CC=CC3N2)C1.
What is the InChIKey of tert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is DUWCAHAXOBUWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-16(2,3)22-15(21)20-9-12-8-17(12,11-20)13-10-19-7-5-4-6-14(19)18-13/h4-7,10,12,14,18H,8-9,11H2,1-3H3.
What are the key properties of tert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 126698998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).