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

C17H24FN5O2 — CID 131679945

IUPAC2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cnn(C)c2)CC12CCN(C(=O)C1(F)CCC1)C2
InChIInChI=1S/C17H24FN5O2/c1-20-10-14(24)23(13-8-19-21(2)9-13)12-16(20)6-7-22(11-16)15(25)17(18)4-3-5-17/h8-9H,3-7,10-12H2,1-2H3
InChIKeyZHLCRVRAWJBQJW-UHFFFAOYSA-N
MW349.41 g/mol
LogP0.56
Rot. Bonds2

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

2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 131679945) has the molecular formula C17H24FN5O2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID131679945
Molecular FormulaC17H24FN5O2
Molecular Weight349.41 g/mol
Exact Mass349.19
IUPAC Name2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cnn(C)c2)CC12CCN(C(=O)C1(F)CCC1)C2
InChIInChI=1S/C17H24FN5O2/c1-20-10-14(24)23(13-8-19-21(2)9-13)12-16(20)6-7-22(11-16)15(25)17(18)4-3-5-17/h8-9H,3-7,10-12H2,1-2H3
InChIKeyZHLCRVRAWJBQJW-UHFFFAOYSA-N
XLogP0.56
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131696189
6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131642956
(5R)-2-[2-(3-fluorophenyl)acetyl]-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373640
8-(1-fluorocyclobutanecarbonyl)-4-(1-methylpyrazol-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131685128
2-(furan-2-carbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155849366
6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155824930
6-methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 118745523
(5R)-6-acetyl-9-(1-methylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373737
2-(cyclopropylmethyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 118746199
(5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 97373735
2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131662037
2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131638275

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 131679945) is 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2cnn(C)c2)CC12CCN(C(=O)C1(F)CCC1)C2.
What is the InChIKey of 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is ZHLCRVRAWJBQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O2/c1-20-10-14(24)23(13-8-19-21(2)9-13)12-16(20)6-7-22(11-16)15(25)17(18)4-3-5-17/h8-9H,3-7,10-12H2,1-2H3.
What are the key properties of 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 349.41 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 131679945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).