[1-(3-fluorophenyl)indazol-3-yl]-(4-methylpiperidin-1-yl)methanone

C20H20FN3O — CID 50840809

IUPAC[1-(3-fluorophenyl)indazol-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2nn(-c3cccc(F)c3)c3ccccc23)CC1
InChIInChI=1S/C20H20FN3O/c1-14-9-11-23(12-10-14)20(25)19-17-7-2-3-8-18(17)24(22-19)16-6-4-5-15(21)13-16/h2-8,13-14H,9-12H2,1H3
InChIKeyYLKDMFJSMKCXNM-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.04
Rot. Bonds2

About [1-(3-fluorophenyl)indazol-3-yl]-(4-methylpiperidin-1-yl)methanone

[1-(3-fluorophenyl)indazol-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 50840809) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is [1-(3-fluorophenyl)indazol-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)indazol-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID50840809
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name[1-(3-fluorophenyl)indazol-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2nn(-c3cccc(F)c3)c3ccccc23)CC1
InChIInChI=1S/C20H20FN3O/c1-14-9-11-23(12-10-14)20(25)19-17-7-2-3-8-18(17)24(22-19)16-6-4-5-15(21)13-16/h2-8,13-14H,9-12H2,1H3
InChIKeyYLKDMFJSMKCXNM-UHFFFAOYSA-N
XLogP4.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 23794200
3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926283
(4-aminopiperidin-1-yl)-[1-(3-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone;hydrochloride
CID 119374320
[5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 82188845
1-[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 122109455
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
1-(3,4-difluorophenyl)-6-ethoxy-3-(4-methylpiperidine-1-carbonyl)pyridazin-4-one
CID 53157768
[4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 53020925
(3-imidazol-1-ylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 166209446
2-[3-(4-methylpiperidine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 4266311
1-(4-fluorophenyl)-2-[4-(1-methylindazole-3-carbonyl)piperazin-1-yl]ethanone
CID 24937693

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)indazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(3-fluorophenyl)indazol-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 50840809) is [1-(3-fluorophenyl)indazol-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(3-fluorophenyl)indazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(3-fluorophenyl)indazol-3-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2nn(-c3cccc(F)c3)c3ccccc23)CC1.
What is the InChIKey of [1-(3-fluorophenyl)indazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is YLKDMFJSMKCXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14-9-11-23(12-10-14)20(25)19-17-7-2-3-8-18(17)24(22-19)16-6-4-5-15(21)13-16/h2-8,13-14H,9-12H2,1H3.
What are the key properties of [1-(3-fluorophenyl)indazol-3-yl]-(4-methylpiperidin-1-yl)methanone?
[1-(3-fluorophenyl)indazol-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 337.40 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)indazol-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 50840809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).