9-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one

C19H23FN4O — CID 118745144

IUPAC9-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1cc(N2CCC3(CCCN(Cc4ccc(F)cc4)C3)C2=O)cn1
InChIInChI=1S/C19H23FN4O/c1-22-13-17(11-21-22)24-10-8-19(18(24)25)7-2-9-23(14-19)12-15-3-5-16(20)6-4-15/h3-6,11,13H,2,7-10,12,14H2,1H3
InChIKeyWBLNBUBCYPNKBT-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.58
Rot. Bonds3

About 9-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one

9-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118745144) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118745144
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name9-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCn1cc(N2CCC3(CCCN(Cc4ccc(F)cc4)C3)C2=O)cn1
InChIInChI=1S/C19H23FN4O/c1-22-13-17(11-21-22)24-10-8-19(18(24)25)7-2-9-23(14-19)12-15-3-5-16(20)6-4-15/h3-6,11,13H,2,7-10,12,14H2,1H3
InChIKeyWBLNBUBCYPNKBT-UHFFFAOYSA-N
XLogP2.58
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one (CID 118745144) is 9-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one is Cn1cc(N2CCC3(CCCN(Cc4ccc(F)cc4)C3)C2=O)cn1.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is WBLNBUBCYPNKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-22-13-17(11-21-22)24-10-8-19(18(24)25)7-2-9-23(14-19)12-15-3-5-16(20)6-4-15/h3-6,11,13H,2,7-10,12,14H2,1H3.
What are the key properties of 9-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
9-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 342.42 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118745144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).