2-[3-(3-fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone

C20H20FN3O — CID 56837421

IUPAC2-[3-(3-fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1nc(-c2cccc(F)c2)c2ccccc21)N1CCCCC1
InChIInChI=1S/C20H20FN3O/c21-16-8-6-7-15(13-16)20-17-9-2-3-10-18(17)24(22-20)14-19(25)23-11-4-1-5-12-23/h2-3,6-10,13H,1,4-5,11-12,14H2
InChIKeyZMVHXPMADDPKFR-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.85
Rot. Bonds3

About 2-[3-(3-fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone

2-[3-(3-fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 56837421) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID56837421
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name2-[3-(3-fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1nc(-c2cccc(F)c2)c2ccccc21)N1CCCCC1
InChIInChI=1S/C20H20FN3O/c21-16-8-6-7-15(13-16)20-17-9-2-3-10-18(17)24(22-20)14-19(25)23-11-4-1-5-12-23/h2-3,6-10,13H,1,4-5,11-12,14H2
InChIKeyZMVHXPMADDPKFR-UHFFFAOYSA-N
XLogP3.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[3-(2,5-difluorophenyl)indazol-1-yl]acetate
CID 73506262
1-[3-(3-Fluorophenyl)indazol-1-yl]-3,3-dimethylbutan-2-one
CID 56840674
Methyl 2-(3-(3-fluorophenyl)-1H-indazol-1-yl)acetate
CID 49835858
Methyl 2-[3-(2-fluorophenyl)indazol-1-yl]acetate
CID 73505836
Methyl 2-[3-(2,6-difluorophenyl)indazol-1-yl]acetate
CID 73506475
Methyl 2-[3-(5-fluoro-2-methylphenyl)indazol-1-yl]acetate
CID 73506476
Methyl 2-[3-(2,3-difluorophenyl)indazol-1-yl]acetate
CID 73506477
2-(1H-indazol-1-yl)-N-mesitylacetamide
CID 20885360
2-(1H-indazol-1-yl)-N-(4-isopropylphenyl)acetamide
CID 20885372
N-(1-benzylpiperidin-4-yl)-1-isopropylindazole-3-carboxamide
CID 10499786
4-(4-fluorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205150
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-para-tolylpyridin-2(1H)-one
CID 25205153

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-(3-fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone (CID 56837421) is 2-[3-(3-fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-(3-fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-(3-fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone is O=C(Cn1nc(-c2cccc(F)c2)c2ccccc21)N1CCCCC1.
What is the InChIKey of 2-[3-(3-fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is ZMVHXPMADDPKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-16-8-6-7-15(13-16)20-17-9-2-3-10-18(17)24(22-20)14-19(25)23-11-4-1-5-12-23/h2-3,6-10,13H,1,4-5,11-12,14H2.
What are the key properties of 2-[3-(3-fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone?
2-[3-(3-fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 337.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 56837421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).