2-(2,2-difluoroacetyl)-8-(3-methoxyanilino)-6-[4-(1H-pyrazol-4-yl)phenyl]-2,6-diazaspiro[3.4]octan-7-one

C24H23F2N5O3 — CID 139547284

IUPAC2-(2,2-difluoroacetyl)-8-(3-methoxyanilino)-6-[4-(1H-pyrazol-4-yl)phenyl]-2,6-diazaspiro[3.4]octan-7-one
SMILESCOc1cccc(NC2C(=O)N(c3ccc(-c4cn[nH]c4)cc3)CC23CN(C(=O)C(F)F)C3)c1
InChIInChI=1S/C24H23F2N5O3/c1-34-19-4-2-3-17(9-19)29-20-22(32)31(14-24(20)12-30(13-24)23(33)21(25)26)18-7-5-15(6-8-18)16-10-27-28-11-16/h2-11,20-21,29H,12-14H2,1H3,(H,27,28)
InChIKeyJSZMBWJPMKMLLH-UHFFFAOYSA-N
MW467.48 g/mol
LogP3.01
Rot. Bonds6

About 2-(2,2-difluoroacetyl)-8-(3-methoxyanilino)-6-[4-(1H-pyrazol-4-yl)phenyl]-2,6-diazaspiro[3.4]octan-7-one

2-(2,2-difluoroacetyl)-8-(3-methoxyanilino)-6-[4-(1H-pyrazol-4-yl)phenyl]-2,6-diazaspiro[3.4]octan-7-one (PubChem CID 139547284) has the molecular formula C24H23F2N5O3 and a molecular weight of 467.48 g/mol. Its IUPAC name is 2-(2,2-difluoroacetyl)-8-(3-methoxyanilino)-6-[4-(1H-pyrazol-4-yl)phenyl]-2,6-diazaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name2-(2,2-difluoroacetyl)-8-(3-methoxyanilino)-6-[4-(1H-pyrazol-4-yl)phenyl]-2,6-diazaspiro[3.4]octan-7-one
PubChem CID139547284
Molecular FormulaC24H23F2N5O3
Molecular Weight467.48 g/mol
Exact Mass467.18
IUPAC Name2-(2,2-difluoroacetyl)-8-(3-methoxyanilino)-6-[4-(1H-pyrazol-4-yl)phenyl]-2,6-diazaspiro[3.4]octan-7-one
SMILESCOc1cccc(NC2C(=O)N(c3ccc(-c4cn[nH]c4)cc3)CC23CN(C(=O)C(F)F)C3)c1
InChIInChI=1S/C24H23F2N5O3/c1-34-19-4-2-3-17(9-19)29-20-22(32)31(14-24(20)12-30(13-24)23(33)21(25)26)18-7-5-15(6-8-18)16-10-27-28-11-16/h2-11,20-21,29H,12-14H2,1H3,(H,27,28)
InChIKeyJSZMBWJPMKMLLH-UHFFFAOYSA-N
XLogP3.01
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,2-difluoroacetyl)-8-(3-methoxyanilino)-6-[4-(1H-pyrazol-4-yl)phenyl]-2,6-diazaspiro[3.4]octan-7-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroacetyl)-8-(3-methoxyanilino)-6-[4-(1H-pyrazol-4-yl)phenyl]-2,6-diazaspiro[3.4]octan-7-one?
The IUPAC name of 2-(2,2-difluoroacetyl)-8-(3-methoxyanilino)-6-[4-(1H-pyrazol-4-yl)phenyl]-2,6-diazaspiro[3.4]octan-7-one (CID 139547284) is 2-(2,2-difluoroacetyl)-8-(3-methoxyanilino)-6-[4-(1H-pyrazol-4-yl)phenyl]-2,6-diazaspiro[3.4]octan-7-one.
What is the SMILES notation for 2-(2,2-difluoroacetyl)-8-(3-methoxyanilino)-6-[4-(1H-pyrazol-4-yl)phenyl]-2,6-diazaspiro[3.4]octan-7-one?
The canonical SMILES for 2-(2,2-difluoroacetyl)-8-(3-methoxyanilino)-6-[4-(1H-pyrazol-4-yl)phenyl]-2,6-diazaspiro[3.4]octan-7-one is COc1cccc(NC2C(=O)N(c3ccc(-c4cn[nH]c4)cc3)CC23CN(C(=O)C(F)F)C3)c1.
What is the InChIKey of 2-(2,2-difluoroacetyl)-8-(3-methoxyanilino)-6-[4-(1H-pyrazol-4-yl)phenyl]-2,6-diazaspiro[3.4]octan-7-one?
The InChIKey is JSZMBWJPMKMLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O3/c1-34-19-4-2-3-17(9-19)29-20-22(32)31(14-24(20)12-30(13-24)23(33)21(25)26)18-7-5-15(6-8-18)16-10-27-28-11-16/h2-11,20-21,29H,12-14H2,1H3,(H,27,28).
What are the key properties of 2-(2,2-difluoroacetyl)-8-(3-methoxyanilino)-6-[4-(1H-pyrazol-4-yl)phenyl]-2,6-diazaspiro[3.4]octan-7-one?
2-(2,2-difluoroacetyl)-8-(3-methoxyanilino)-6-[4-(1H-pyrazol-4-yl)phenyl]-2,6-diazaspiro[3.4]octan-7-one has a molecular weight of 467.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroacetyl)-8-(3-methoxyanilino)-6-[4-(1H-pyrazol-4-yl)phenyl]-2,6-diazaspiro[3.4]octan-7-one is sourced from PubChem (CID 139547284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).