(1S,5R)-3-propan-2-yl-6-[(4-pyridin-3-ylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane

C20H24N2O — CID 143585968

IUPAC(1S,5R)-3-propan-2-yl-6-[(4-pyridin-3-ylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1C[C@@H]2C(COc3ccc(-c4cccnc4)cc3)[C@@H]2C1
InChIInChI=1S/C20H24N2O/c1-14(2)22-11-18-19(12-22)20(18)13-23-17-7-5-15(6-8-17)16-4-3-9-21-10-16/h3-10,14,18-20H,11-13H2,1-2H3/t18-,19+,20?
InChIKeyQWWNNERJMUXPQJ-YOFSQIOKSA-N
MW308.43 g/mol
LogP3.71
Rot. Bonds5

About (1S,5R)-3-propan-2-yl-6-[(4-pyridin-3-ylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane

(1S,5R)-3-propan-2-yl-6-[(4-pyridin-3-ylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 143585968) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (1S,5R)-3-propan-2-yl-6-[(4-pyridin-3-ylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-3-propan-2-yl-6-[(4-pyridin-3-ylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID143585968
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(1S,5R)-3-propan-2-yl-6-[(4-pyridin-3-ylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1C[C@@H]2C(COc3ccc(-c4cccnc4)cc3)[C@@H]2C1
InChIInChI=1S/C20H24N2O/c1-14(2)22-11-18-19(12-22)20(18)13-23-17-7-5-15(6-8-17)16-4-3-9-21-10-16/h3-10,14,18-20H,11-13H2,1-2H3/t18-,19+,20?
InChIKeyQWWNNERJMUXPQJ-YOFSQIOKSA-N
XLogP3.71
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-3-propan-2-yl-6-[(4-pyridin-3-ylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

3-[4-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methoxy]phenyl]quinoline
CID 71154306
3-(4-propan-2-yloxyphenyl)pyridine
CID 91807940
3-(1-propan-2-ylazetidin-3-yl)pyridine
CID 58547303
3-(4-octoxyphenyl)pyridine
CID 90176946
2-(4-pyridin-3-ylphenoxy)acetaldehyde
CID 90125264
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
5-(4-methoxyphenyl)-2-pyridin-3-ylpyridine
CID 59027680
4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one
CID 117051630
3-azulen-6-ylpyridine
CID 86232079
3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
CID 11602342
CID 140826858
CID 140826858
1-[2-(4-pyridin-3-ylphenoxy)ethoxy]-3-sulfanylbutan-2-one
CID 135175624

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-propan-2-yl-6-[(4-pyridin-3-ylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-3-propan-2-yl-6-[(4-pyridin-3-ylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane (CID 143585968) is (1S,5R)-3-propan-2-yl-6-[(4-pyridin-3-ylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-3-propan-2-yl-6-[(4-pyridin-3-ylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-3-propan-2-yl-6-[(4-pyridin-3-ylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane is CC(C)N1C[C@@H]2C(COc3ccc(-c4cccnc4)cc3)[C@@H]2C1.
What is the InChIKey of (1S,5R)-3-propan-2-yl-6-[(4-pyridin-3-ylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is QWWNNERJMUXPQJ-YOFSQIOKSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14(2)22-11-18-19(12-22)20(18)13-23-17-7-5-15(6-8-17)16-4-3-9-21-10-16/h3-10,14,18-20H,11-13H2,1-2H3/t18-,19+,20?.
What are the key properties of (1S,5R)-3-propan-2-yl-6-[(4-pyridin-3-ylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane?
(1S,5R)-3-propan-2-yl-6-[(4-pyridin-3-ylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 308.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-propan-2-yl-6-[(4-pyridin-3-ylphenoxy)methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 143585968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).