[(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone

C20H20FN5O2 — CID 59003558

IUPAC[(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCC[C@@H](F)C3)cc2-c2ccccn2)cn1
InChIInChI=1S/C20H20FN5O2/c1-28-19-8-7-15(12-23-19)26-18(16-6-2-3-9-22-16)11-17(24-26)20(27)25-10-4-5-14(21)13-25/h2-3,6-9,11-12,14H,4-5,10,13H2,1H3/t14-/m1/s1
InChIKeyJRIWCPBUVQGQAV-CQSZACIVSA-N
MW381.41 g/mol
LogP2.91
Rot. Bonds4

About [(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone

[(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone (PubChem CID 59003558) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is [(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone
PubChem CID59003558
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name[(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCC[C@@H](F)C3)cc2-c2ccccn2)cn1
InChIInChI=1S/C20H20FN5O2/c1-28-19-8-7-15(12-23-19)26-18(16-6-2-3-9-22-16)11-17(24-26)20(27)25-10-4-5-14(21)13-25/h2-3,6-9,11-12,14H,4-5,10,13H2,1H3/t14-/m1/s1
InChIKeyJRIWCPBUVQGQAV-CQSZACIVSA-N
XLogP2.91
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone?
The IUPAC name of [(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone (CID 59003558) is [(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone.
What is the SMILES notation for [(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone?
The canonical SMILES for [(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone is COc1ccc(-n2nc(C(=O)N3CCC[C@@H](F)C3)cc2-c2ccccn2)cn1.
What is the InChIKey of [(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone?
The InChIKey is JRIWCPBUVQGQAV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-28-19-8-7-15(12-23-19)26-18(16-6-2-3-9-22-16)11-17(24-26)20(27)25-10-4-5-14(21)13-25/h2-3,6-9,11-12,14H,4-5,10,13H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone?
[(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone has a molecular weight of 381.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone is sourced from PubChem (CID 59003558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).