(5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane

C15H21N3O — CID 143976866

IUPAC(5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
SMILESc1ncc(N2CC3C[C@@H]3C2)cc1OC[C@@H]1CCCN1
InChIInChI=1S/C15H21N3O/c1-2-13(17-3-1)10-19-15-5-14(6-16-7-15)18-8-11-4-12(11)9-18/h5-7,11-13,17H,1-4,8-10H2/t11-,12?,13+/m1/s1
InChIKeyBQRPCJZMSMOKEB-YPHAAILGSA-N
MW259.35 g/mol
LogP1.67
Rot. Bonds4

About (5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane

(5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 143976866) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
PubChem CID143976866
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
SMILESc1ncc(N2CC3C[C@@H]3C2)cc1OC[C@@H]1CCCN1
InChIInChI=1S/C15H21N3O/c1-2-13(17-3-1)10-19-15-5-14(6-16-7-15)18-8-11-4-12(11)9-18/h5-7,11-13,17H,1-4,8-10H2/t11-,12?,13+/m1/s1
InChIKeyBQRPCJZMSMOKEB-YPHAAILGSA-N
XLogP1.67
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 143977024
3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
CID 70881858
3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
CID 68612034
3-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57064323
(5S)-5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 59371335
3-[4-(2-cyclohexyloxyethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 68611410
3-[5-[(1-methylazetidin-2-yl)methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 90729487
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908
3-[5-[[(2R)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane;tert-butyl (2R)-2-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 158454131
4-[2-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperidin-4-yl]ethoxy]phenol
CID 59371523
5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine
CID 22961876
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane (CID 143976866) is (5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane is c1ncc(N2CC3C[C@@H]3C2)cc1OC[C@@H]1CCCN1.
What is the InChIKey of (5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is BQRPCJZMSMOKEB-YPHAAILGSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-13(17-3-1)10-19-15-5-14(6-16-7-15)18-8-11-4-12(11)9-18/h5-7,11-13,17H,1-4,8-10H2/t11-,12?,13+/m1/s1.
What are the key properties of (5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane?
(5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 259.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 143976866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).