tert-butyl 2-furo[3,2-b]pyridin-2-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate

C18H22N2O3 — CID 19597649

IUPACtert-butyl 2-furo[3,2-b]pyridin-2-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1C(c1cc3ncccc3o1)C2
InChIInChI=1S/C18H22N2O3/c1-18(2,3)23-17(21)20-11-6-7-14(20)12(9-11)16-10-13-15(22-16)5-4-8-19-13/h4-5,8,10-12,14H,6-7,9H2,1-3H3
InChIKeyMIMIRDGODKOQTH-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.08
Rot. Bonds1

About tert-butyl 2-furo[3,2-b]pyridin-2-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate

tert-butyl 2-furo[3,2-b]pyridin-2-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate (PubChem CID 19597649) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is tert-butyl 2-furo[3,2-b]pyridin-2-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-furo[3,2-b]pyridin-2-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate
PubChem CID19597649
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Nametert-butyl 2-furo[3,2-b]pyridin-2-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1C(c1cc3ncccc3o1)C2
InChIInChI=1S/C18H22N2O3/c1-18(2,3)23-17(21)20-11-6-7-14(20)12(9-11)16-10-13-15(22-16)5-4-8-19-13/h4-5,8,10-12,14H,6-7,9H2,1-3H3
InChIKeyMIMIRDGODKOQTH-UHFFFAOYSA-N
XLogP4.08
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-furo[3,2-b]pyridin-2-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate with MolForge

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Related Compounds

tert-butyl (1R,4S)-2-pyridin-3-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 10107410
tert-butyl (1S,2S,4R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 10859827
tert-butyl 2-(6-iodo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 59737022
tert-butyl (1R,2R,4S)-2-(6-fluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 10732393
tert-butyl 3-(quinoline-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171942050
tert-butyl (1S,2S,3R,5R)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 97290213
tert-butyl 3-(3-methoxypyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171943496
tert-butyl (1R,2R,4S)-2-[6-chloro-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 45378541
tert-butyl 3-[methyl(pyridin-2-ylmethyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 75387475
tert-butyl 3-(2-methylpyridine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171950392
8-O-tert-butyl 2-O-methyl (1S,2S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
CID 138743421
tert-butyl (1S,2S,4R)-2-[(2-phenoxyacetyl)amino]-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 97290215

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-furo[3,2-b]pyridin-2-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate?
The IUPAC name of tert-butyl 2-furo[3,2-b]pyridin-2-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate (CID 19597649) is tert-butyl 2-furo[3,2-b]pyridin-2-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-furo[3,2-b]pyridin-2-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate?
The canonical SMILES for tert-butyl 2-furo[3,2-b]pyridin-2-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate is CC(C)(C)OC(=O)N1C2CCC1C(c1cc3ncccc3o1)C2.
What is the InChIKey of tert-butyl 2-furo[3,2-b]pyridin-2-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate?
The InChIKey is MIMIRDGODKOQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-18(2,3)23-17(21)20-11-6-7-14(20)12(9-11)16-10-13-15(22-16)5-4-8-19-13/h4-5,8,10-12,14H,6-7,9H2,1-3H3.
What are the key properties of tert-butyl 2-furo[3,2-b]pyridin-2-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate?
tert-butyl 2-furo[3,2-b]pyridin-2-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-furo[3,2-b]pyridin-2-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate is sourced from PubChem (CID 19597649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).