1-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone

C24H25FN6O2 — CID 149410419

IUPAC1-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
SMILESCn1cc(-c2ccc3nnc(CC(=O)c4coc(C5CCN(CCF)CC5)n4)cc3c2)cn1
InChIInChI=1S/C24H25FN6O2/c1-30-14-19(13-26-30)17-2-3-21-18(10-17)11-20(28-29-21)12-23(32)22-15-33-24(27-22)16-4-7-31(8-5-16)9-6-25/h2-3,10-11,13-16H,4-9,12H2,1H3
InChIKeyYRDIIYHOOKUNIX-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.59
Rot. Bonds7

About 1-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone

1-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone (PubChem CID 149410419) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 1-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
PubChem CID149410419
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name1-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
SMILESCn1cc(-c2ccc3nnc(CC(=O)c4coc(C5CCN(CCF)CC5)n4)cc3c2)cn1
InChIInChI=1S/C24H25FN6O2/c1-30-14-19(13-26-30)17-2-3-21-18(10-17)11-20(28-29-21)12-23(32)22-15-33-24(27-22)16-4-7-31(8-5-16)9-6-25/h2-3,10-11,13-16H,4-9,12H2,1H3
InChIKeyYRDIIYHOOKUNIX-UHFFFAOYSA-N
XLogP3.59
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(2-fluoroethyl)piperidin-4-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-oxazole-4-carboxamide
CID 138591836
5-[6-(4-Fluoropiperidin-1-yl)-1,3-dimethylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 142734176
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
2-[6-(5-Fluoro-3-pyridinyl)cinnolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
CID 149582901
2-[6-(5-Fluoro-3-pyridinyl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
CID 152947741
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
2-[2-(5-Fluoro-3-pyridinyl)-1,6-naphthyridin-7-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
CID 158609266
1-[2-[1-(2-Fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 159053246
2-[6-(5-Fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
CID 159655175
2-[6-(5-Fluoro-3-pyridinyl)isoquinolin-3-yl]-1-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanone
CID 159718357
1-[2-[1-(2-Fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 159796786

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone?
The IUPAC name of 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) is 1-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone.
What is the SMILES notation for 1-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone?
The canonical SMILES for 1-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone is Cn1cc(-c2ccc3nnc(CC(=O)c4coc(C5CCN(CCF)CC5)n4)cc3c2)cn1.
What is the InChIKey of 1-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone?
The InChIKey is YRDIIYHOOKUNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-30-14-19(13-26-30)17-2-3-21-18(10-17)11-20(28-29-21)12-23(32)22-15-33-24(27-22)16-4-7-31(8-5-16)9-6-25/h2-3,10-11,13-16H,4-9,12H2,1H3.
What are the key properties of 1-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone?
1-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone has a molecular weight of 448.50 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-fluoroethyl)piperidin-4-yl]-1,3-oxazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone is sourced from PubChem (CID 149410419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).