2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone

C23H20FN5O2 — CID 152947741

IUPAC2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
SMILESO=C(Cc1cc2cc(-c3cncc(F)c3)ccc2nn1)c1coc(C2CCNCC2)n1
InChIInChI=1S/C23H20FN5O2/c24-18-8-17(11-26-12-18)15-1-2-20-16(7-15)9-19(28-29-20)10-22(30)21-13-31-23(27-21)14-3-5-25-6-4-14/h1-2,7-9,11-14,25H,3-6,10H2
InChIKeyUOBXMRSWCVXFQP-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.71
Rot. Bonds5

About 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone

2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone (PubChem CID 152947741) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
PubChem CID152947741
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
SMILESO=C(Cc1cc2cc(-c3cncc(F)c3)ccc2nn1)c1coc(C2CCNCC2)n1
InChIInChI=1S/C23H20FN5O2/c24-18-8-17(11-26-12-18)15-1-2-20-16(7-15)9-19(28-29-20)10-22(30)21-13-31-23(27-21)14-3-5-25-6-4-14/h1-2,7-9,11-14,25H,3-6,10H2
InChIKeyUOBXMRSWCVXFQP-UHFFFAOYSA-N
XLogP3.71
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide
CID 18458200
2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide
CID 53972924
2-[(1R)-1-amino-3-(4-fluorophenyl)propyl]-N-(6-ethylquinolin-3-yl)-1,3-oxazole-4-carboxamide
CID 70177177
N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 138588781
N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 138589534
N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 138590203
1-[2-[1-(2-Fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 146940447
2-[6-(5-Fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
CID 147078959
1-[2-[1-(2-Fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 149410419
2-[6-(5-Fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
CID 149582901
2-[3-(5-Fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
CID 152985139
1-[2-[1-(2-Fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 153130496

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone (CID 152947741) is 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone is O=C(Cc1cc2cc(-c3cncc(F)c3)ccc2nn1)c1coc(C2CCNCC2)n1.
What is the InChIKey of 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone?
The InChIKey is UOBXMRSWCVXFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c24-18-8-17(11-26-12-18)15-1-2-20-16(7-15)9-19(28-29-20)10-22(30)21-13-31-23(27-21)14-3-5-25-6-4-14/h1-2,7-9,11-14,25H,3-6,10H2.
What are the key properties of 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone?
2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone has a molecular weight of 417.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 152947741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).