8-[3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

C24H24F3N5O — CID 118407987

IUPAC8-[3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1cc(-c2ccc(-c3cncc(C(F)(F)F)c3N3CCC4(CCNC4=O)CC3)cc2)cn1
InChIInChI=1S/C24H24F3N5O/c1-31-15-18(12-30-31)16-2-4-17(5-3-16)19-13-28-14-20(24(25,26)27)21(19)32-10-7-23(8-11-32)6-9-29-22(23)33/h2-5,12-15H,6-11H2,1H3,(H,29,33)
InChIKeyHOFCDHUGGVZPCY-UHFFFAOYSA-N
MW455.48 g/mol
LogP4.27
Rot. Bonds3

About 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

8-[3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118407987) has the molecular formula C24H24F3N5O and a molecular weight of 455.48 g/mol. Its IUPAC name is 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118407987
Molecular FormulaC24H24F3N5O
Molecular Weight455.48 g/mol
Exact Mass455.19
IUPAC Name8-[3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCn1cc(-c2ccc(-c3cncc(C(F)(F)F)c3N3CCC4(CCNC4=O)CC3)cc2)cn1
InChIInChI=1S/C24H24F3N5O/c1-31-15-18(12-30-31)16-2-4-17(5-3-16)19-13-28-14-20(24(25,26)27)21(19)32-10-7-23(8-11-32)6-9-29-22(23)33/h2-5,12-15H,6-11H2,1H3,(H,29,33)
InChIKeyHOFCDHUGGVZPCY-UHFFFAOYSA-N
XLogP4.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-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

Cct251545
CID 77050682
8-[2-Amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 74222191
8-[2-Amino-5-[4-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 74222522
8-[2-Amino-3-chloro-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 74222788
1-(6-benzyl-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl)-2-[(2R,5R)-2-[(4-fluoropyrazol-1-yl)methyl]-5-methylpiperazin-1-yl]ethanone
CID 90232067
8-[3-Chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 118395090
8-[3-Chloro-5-[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118395096
8-[3-[4-(1-Methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 118395100
8-[3-Chloro-5-[4-(1-methylpyrazol-3-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118407960
8-[3-chloro-5-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118407979
8-[3-Chloro-5-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118408035
8-[3-Fluoro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 118408040

Frequently Asked Questions

What is the IUPAC name of 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 118407987) is 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is Cn1cc(-c2ccc(-c3cncc(C(F)(F)F)c3N3CCC4(CCNC4=O)CC3)cc2)cn1.
What is the InChIKey of 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is HOFCDHUGGVZPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O/c1-31-15-18(12-30-31)16-2-4-17(5-3-16)19-13-28-14-20(24(25,26)27)21(19)32-10-7-23(8-11-32)6-9-29-22(23)33/h2-5,12-15H,6-11H2,1H3,(H,29,33).
What are the key properties of 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 455.48 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118407987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).