[5-[2-(4-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

C22H28FN3O — CID 159157364

IUPAC[5-[2-(4-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCn1nc(C(=O)N2CCCCC2)c2c1CCC(CCc1ccc(F)cc1)C2
InChIInChI=1S/C22H28FN3O/c1-25-20-12-9-17(6-5-16-7-10-18(23)11-8-16)15-19(20)21(24-25)22(27)26-13-3-2-4-14-26/h7-8,10-11,17H,2-6,9,12-15H2,1H3
InChIKeyZIIWPYIOHKVQER-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.92
Rot. Bonds4

About [5-[2-(4-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

[5-[2-(4-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 159157364) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is [5-[2-(4-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[2-(4-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
PubChem CID159157364
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name[5-[2-(4-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCn1nc(C(=O)N2CCCCC2)c2c1CCC(CCc1ccc(F)cc1)C2
InChIInChI=1S/C22H28FN3O/c1-25-20-12-9-17(6-5-16-7-10-18(23)11-8-16)15-19(20)21(24-25)22(27)26-13-3-2-4-14-26/h7-8,10-11,17H,2-6,9,12-15H2,1H3
InChIKeyZIIWPYIOHKVQER-UHFFFAOYSA-N
XLogP3.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-[2-(4-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[1-methyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 122684082
piperidin-1-yl-[1-propyl-5-(3-pyridin-4-ylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 149071006
[(5S)-1-methyl-5-piperidin-1-yl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26220935
azepan-1-yl-(1-methyl-5-pyrrolidin-1-yl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 45164485
(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110388981
azepan-1-yl-[(5S)-1-methyl-5-[methyl(thiophen-3-ylmethyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26145085
[5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45162163
azepan-1-yl-[(5S)-5-[2-(2-methoxyphenyl)ethylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26143098
[(5R)-5-[2-(2-methoxyphenyl)ethylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 26141742
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 110389026
azepan-1-yl-[1-methyl-5-(2-thiophen-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45161970
[(5S)-1-methyl-5-[(1-piperidin-1-ylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 51656926

Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[2-(4-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (CID 159157364) is [5-[2-(4-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[2-(4-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[2-(4-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is Cn1nc(C(=O)N2CCCCC2)c2c1CCC(CCc1ccc(F)cc1)C2.
What is the InChIKey of [5-[2-(4-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is ZIIWPYIOHKVQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-25-20-12-9-17(6-5-16-7-10-18(23)11-8-16)15-19(20)21(24-25)22(27)26-13-3-2-4-14-26/h7-8,10-11,17H,2-6,9,12-15H2,1H3.
What are the key properties of [5-[2-(4-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
[5-[2-(4-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 369.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 159157364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).