8-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-3-one

C23H25N5O — CID 166490661

IUPAC8-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1[nH]nc(-c2ccncc2)c1-c1ccc(N2CCC3(CC2)CNC(=O)C3)cc1
InChIInChI=1S/C23H25N5O/c1-16-21(22(27-26-16)18-6-10-24-11-7-18)17-2-4-19(5-3-17)28-12-8-23(9-13-28)14-20(29)25-15-23/h2-7,10-11H,8-9,12-15H2,1H3,(H,25,29)(H,26,27)
InChIKeyCHZBASUMCBAPGP-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.55
Rot. Bonds3

About 8-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-3-one

8-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 166490661) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 8-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID166490661
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name8-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1[nH]nc(-c2ccncc2)c1-c1ccc(N2CCC3(CC2)CNC(=O)C3)cc1
InChIInChI=1S/C23H25N5O/c1-16-21(22(27-26-16)18-6-10-24-11-7-18)17-2-4-19(5-3-17)28-12-8-23(9-13-28)14-20(29)25-15-23/h2-7,10-11H,8-9,12-15H2,1H3,(H,25,29)(H,26,27)
InChIKeyCHZBASUMCBAPGP-UHFFFAOYSA-N
XLogP3.55
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-3-one (CID 166490661) is 8-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-3-one is Cc1[nH]nc(-c2ccncc2)c1-c1ccc(N2CCC3(CC2)CNC(=O)C3)cc1.
What is the InChIKey of 8-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is CHZBASUMCBAPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-21(22(27-26-16)18-6-10-24-11-7-18)17-2-4-19(5-3-17)28-12-8-23(9-13-28)14-20(29)25-15-23/h2-7,10-11H,8-9,12-15H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 8-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 387.49 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 166490661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).