furo[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone

C20H18N2O2 — CID 166282493

IUPACfuro[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESCc1ccc([C@]23C[C@H]2CN(C(=O)c2cc4cnccc4o2)C3)cc1
InChIInChI=1S/C20H18N2O2/c1-13-2-4-15(5-3-13)20-9-16(20)11-22(12-20)19(23)18-8-14-10-21-7-6-17(14)24-18/h2-8,10,16H,9,11-12H2,1H3/t16-,20+/m0/s1
InChIKeyVNLKGLFOFLYURL-OXJNMPFZSA-N
MW318.38 g/mol
LogP3.55
Rot. Bonds2

About furo[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone

furo[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone (PubChem CID 166282493) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is furo[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone.

Molecular Properties

Compound Namefuro[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
PubChem CID166282493
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Namefuro[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESCc1ccc([C@]23C[C@H]2CN(C(=O)c2cc4cnccc4o2)C3)cc1
InChIInChI=1S/C20H18N2O2/c1-13-2-4-15(5-3-13)20-9-16(20)11-22(12-20)19(23)18-8-14-10-21-7-6-17(14)24-18/h2-8,10,16H,9,11-12H2,1H3/t16-,20+/m0/s1
InChIKeyVNLKGLFOFLYURL-OXJNMPFZSA-N
XLogP3.55
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furo[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The IUPAC name of furo[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone (CID 166282493) is furo[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone.
What is the SMILES notation for furo[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The canonical SMILES for furo[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone is Cc1ccc([C@]23C[C@H]2CN(C(=O)c2cc4cnccc4o2)C3)cc1.
What is the InChIKey of furo[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The InChIKey is VNLKGLFOFLYURL-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-13-2-4-15(5-3-13)20-9-16(20)11-22(12-20)19(23)18-8-14-10-21-7-6-17(14)24-18/h2-8,10,16H,9,11-12H2,1H3/t16-,20+/m0/s1.
What are the key properties of furo[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
furo[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone has a molecular weight of 318.38 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furo[3,2-c]pyridin-2-yl-[(1S,5R)-1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone is sourced from PubChem (CID 166282493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).