3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol

C20H23N3O2 — CID 23595083

IUPAC3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol
SMILESOc1cccc(CNc2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)c1
InChIInChI=1S/C20H23N3O2/c24-18-3-1-2-14(8-18)11-21-17-9-15-10-20(25-19(15)22-12-17)13-23-6-4-16(20)5-7-23/h1-3,8-9,12,16,21,24H,4-7,10-11,13H2/t20-/m0/s1
InChIKeyONLVVPXDAOTKKL-FQEVSTJZSA-N
MW337.42 g/mol
LogP2.80
Rot. Bonds3

About 3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol

3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol (PubChem CID 23595083) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol
PubChem CID23595083
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol
SMILESOc1cccc(CNc2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)c1
InChIInChI=1S/C20H23N3O2/c24-18-3-1-2-14(8-18)11-21-17-9-15-10-20(25-19(15)22-12-17)13-23-6-4-16(20)5-7-23/h1-3,8-9,12,16,21,24H,4-7,10-11,13H2/t20-/m0/s1
InChIKeyONLVVPXDAOTKKL-FQEVSTJZSA-N
XLogP2.80
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(3-phenylprop-1-ynyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine
CID 23595086
(3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 11439014
3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 19627574
N-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 60931820
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
1-(azetidin-3-yl)-3-[(3-hydroxyphenyl)methyl]urea
CID 117235385
3-[[(5-bromopyrimidin-2-yl)amino]methyl]phenol
CID 166230475
3-[[[6-(2-methylimidazol-1-yl)-3-pyridinyl]amino]methyl]phenol
CID 43748670
1-[(3-hydroxyphenyl)methyl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 122133943
3-[(cyclobutylamino)methyl]phenol
CID 62416890
2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol
CID 68947876
1-[(3-hydroxyphenyl)methyl]-3-piperidin-4-ylurea
CID 117235378

Frequently Asked Questions

What is the IUPAC name of 3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol?
The IUPAC name of 3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol (CID 23595083) is 3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol.
What is the SMILES notation for 3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol?
The canonical SMILES for 3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol is Oc1cccc(CNc2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)c1.
What is the InChIKey of 3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol?
The InChIKey is ONLVVPXDAOTKKL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-18-3-1-2-14(8-18)11-21-17-9-15-10-20(25-19(15)22-12-17)13-23-6-4-16(20)5-7-23/h1-3,8-9,12,16,21,24H,4-7,10-11,13H2/t20-/m0/s1.
What are the key properties of 3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol?
3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol has a molecular weight of 337.42 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]amino]methyl]phenol is sourced from PubChem (CID 23595083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).