tert-butyl (1S,5R)-6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

C20H25N3O4 — CID 175942913

IUPACtert-butyl (1S,5R)-6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2C(CCNC(=O)c3cc4cccnc4o3)[C@@H]2C1
InChIInChI=1S/C20H25N3O4/c1-20(2,3)27-19(25)23-10-14-13(15(14)11-23)6-8-21-17(24)16-9-12-5-4-7-22-18(12)26-16/h4-5,7,9,13-15H,6,8,10-11H2,1-3H3,(H,21,24)/t13?,14-,15+
InChIKeyQFJLCQLPWHDBES-GOOCMWNKSA-N
MW371.44 g/mol
LogP3.06
Rot. Bonds4

About tert-butyl (1S,5R)-6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl (1S,5R)-6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 175942913) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is tert-butyl (1S,5R)-6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,5R)-6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID175942913
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Nametert-butyl (1S,5R)-6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H]2C(CCNC(=O)c3cc4cccnc4o3)[C@@H]2C1
InChIInChI=1S/C20H25N3O4/c1-20(2,3)27-19(25)23-10-14-13(15(14)11-23)6-8-21-17(24)16-9-12-5-4-7-22-18(12)26-16/h4-5,7,9,13-15H,6,8,10-11H2,1-3H3,(H,21,24)/t13?,14-,15+
InChIKeyQFJLCQLPWHDBES-GOOCMWNKSA-N
XLogP3.06
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (1S,5R)-6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

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Related Compounds

tert-butyl 6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 146464396
tert-butyl 6-[2-[(3-pyridin-3-ylazetidine-1-carbonyl)amino]ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 162501690
tert-butyl (1S,5R)-6-(3-phenylpropyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 70142250
tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate
CID 103748619
(3-methyloxetan-3-yl) (1S,5R)-6-[2-(1H-pyrazolo[3,4-b]pyridine-5-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 162501995
tert-butyl 3-[[(2-naphthalen-2-ylacetyl)amino]methyl]azetidine-1-carboxylate
CID 167461978
tert-butyl 3-[[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]azetidine-1-carboxylate
CID 171785762
tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate
CID 113263719
tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate
CID 66641449
tert-butyl 3-(quinolin-8-ylmethylamino)azetidine-1-carboxylate
CID 103740770
tert-butyl 4-[[(2-chloropyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 66569724
tert-butyl 3-(2-pyrimidin-2-ylethyl)azetidine-1-carboxylate
CID 152975023

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,5R)-6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl (1S,5R)-6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 175942913) is tert-butyl (1S,5R)-6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl (1S,5R)-6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl (1S,5R)-6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is CC(C)(C)OC(=O)N1C[C@@H]2C(CCNC(=O)c3cc4cccnc4o3)[C@@H]2C1.
What is the InChIKey of tert-butyl (1S,5R)-6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is QFJLCQLPWHDBES-GOOCMWNKSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-20(2,3)27-19(25)23-10-14-13(15(14)11-23)6-8-21-17(24)16-9-12-5-4-7-22-18(12)26-16/h4-5,7,9,13-15H,6,8,10-11H2,1-3H3,(H,21,24)/t13?,14-,15+.
What are the key properties of tert-butyl (1S,5R)-6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl (1S,5R)-6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,5R)-6-[2-(furo[2,3-b]pyridine-2-carbonylamino)ethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 175942913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).