(1S,5R)-6-[1-(5-methoxy-2-pyridinyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

C15H16N4O3 — CID 126505646

IUPAC(1S,5R)-6-[1-(5-methoxy-2-pyridinyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCOc1ccc(-n2ccc(C3[C@H]4CN(C(=O)O)C[C@@H]34)n2)nc1
InChIInChI=1S/C15H16N4O3/c1-22-9-2-3-13(16-6-9)19-5-4-12(17-19)14-10-7-18(15(20)21)8-11(10)14/h2-6,10-11,14H,7-8H2,1H3,(H,20,21)/t10-,11+,14?
InChIKeyOVZKINKNYNZLPM-BVUQATHDSA-N
MW300.32 g/mol
LogP1.60
Rot. Bonds3

About (1S,5R)-6-[1-(5-methoxy-2-pyridinyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

(1S,5R)-6-[1-(5-methoxy-2-pyridinyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 126505646) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (1S,5R)-6-[1-(5-methoxy-2-pyridinyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name(1S,5R)-6-[1-(5-methoxy-2-pyridinyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID126505646
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name(1S,5R)-6-[1-(5-methoxy-2-pyridinyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESCOc1ccc(-n2ccc(C3[C@H]4CN(C(=O)O)C[C@@H]34)n2)nc1
InChIInChI=1S/C15H16N4O3/c1-22-9-2-3-13(16-6-9)19-5-4-12(17-19)14-10-7-18(15(20)21)8-11(10)14/h2-6,10-11,14H,7-8H2,1H3,(H,20,21)/t10-,11+,14?
InChIKeyOVZKINKNYNZLPM-BVUQATHDSA-N
XLogP1.60
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-[1-(5-methoxy-2-pyridinyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of (1S,5R)-6-[1-(5-methoxy-2-pyridinyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 126505646) is (1S,5R)-6-[1-(5-methoxy-2-pyridinyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for (1S,5R)-6-[1-(5-methoxy-2-pyridinyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for (1S,5R)-6-[1-(5-methoxy-2-pyridinyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is COc1ccc(-n2ccc(C3[C@H]4CN(C(=O)O)C[C@@H]34)n2)nc1.
What is the InChIKey of (1S,5R)-6-[1-(5-methoxy-2-pyridinyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is OVZKINKNYNZLPM-BVUQATHDSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-22-9-2-3-13(16-6-9)19-5-4-12(17-19)14-10-7-18(15(20)21)8-11(10)14/h2-6,10-11,14H,7-8H2,1H3,(H,20,21)/t10-,11+,14?.
What are the key properties of (1S,5R)-6-[1-(5-methoxy-2-pyridinyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
(1S,5R)-6-[1-(5-methoxy-2-pyridinyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 300.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-[1-(5-methoxy-2-pyridinyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 126505646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).