9-(3-fluorophenyl)-6-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one

C19H24FN5O — CID 118746191

IUPAC9-(3-fluorophenyl)-6-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cccc(F)c2)CC12CCN(Cc1cnn(C)c1)C2
InChIInChI=1S/C19H24FN5O/c1-22-12-18(26)25(17-5-3-4-16(20)8-17)14-19(22)6-7-24(13-19)11-15-9-21-23(2)10-15/h3-5,8-10H,6-7,11-14H2,1-2H3
InChIKeyJWACLJJFMDEBME-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.48
Rot. Bonds3

About 9-(3-fluorophenyl)-6-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one

9-(3-fluorophenyl)-6-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 118746191) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 9-(3-fluorophenyl)-6-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-(3-fluorophenyl)-6-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID118746191
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name9-(3-fluorophenyl)-6-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cccc(F)c2)CC12CCN(Cc1cnn(C)c1)C2
InChIInChI=1S/C19H24FN5O/c1-22-12-18(26)25(17-5-3-4-16(20)8-17)14-19(22)6-7-24(13-19)11-15-9-21-23(2)10-15/h3-5,8-10H,6-7,11-14H2,1-2H3
InChIKeyJWACLJJFMDEBME-UHFFFAOYSA-N
XLogP1.48
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-Fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6467697
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
N,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055778
1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 156022397
2-(4-Bromo-5-methylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 4777062
1-(2,3-Dihydroindol-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5307321
2-Indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone
CID 5307808
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309752
2-(1-isobutyl-3-oxo-2-piperazinyl)-N-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 16187839
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 16189902
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 16192341
1-[3-[Methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 24790635

Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorophenyl)-6-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 9-(3-fluorophenyl)-6-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one (CID 118746191) is 9-(3-fluorophenyl)-6-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-(3-fluorophenyl)-6-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 9-(3-fluorophenyl)-6-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2cccc(F)c2)CC12CCN(Cc1cnn(C)c1)C2.
What is the InChIKey of 9-(3-fluorophenyl)-6-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is JWACLJJFMDEBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-22-12-18(26)25(17-5-3-4-16(20)8-17)14-19(22)6-7-24(13-19)11-15-9-21-23(2)10-15/h3-5,8-10H,6-7,11-14H2,1-2H3.
What are the key properties of 9-(3-fluorophenyl)-6-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one?
9-(3-fluorophenyl)-6-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 357.43 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluorophenyl)-6-methyl-2-[(1-methylpyrazol-4-yl)methyl]-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118746191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).