11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one

C22H19F2N3O — CID 140930928

IUPAC11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1ccc3cn[nH]c3c1C2c1ccc(F)c(F)c1
InChIInChI=1S/C22H19F2N3O/c1-22(2)8-16-19(17(28)9-22)18(11-3-5-13(23)14(24)7-11)20-15(26-16)6-4-12-10-25-27-21(12)20/h3-7,10,18,26H,8-9H2,1-2H3,(H,25,27)
InChIKeyUDBMRXKPBPHSCJ-UHFFFAOYSA-N
MW379.41 g/mol
LogP5.04
Rot. Bonds1

About 11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one

11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one (PubChem CID 140930928) has the molecular formula C22H19F2N3O and a molecular weight of 379.41 g/mol. Its IUPAC name is 11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one.

Molecular Properties

Compound Name11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one
PubChem CID140930928
Molecular FormulaC22H19F2N3O
Molecular Weight379.41 g/mol
Exact Mass379.15
IUPAC Name11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1ccc3cn[nH]c3c1C2c1ccc(F)c(F)c1
InChIInChI=1S/C22H19F2N3O/c1-22(2)8-16-19(17(28)9-22)18(11-3-5-13(23)14(24)7-11)20-15(26-16)6-4-12-10-25-27-21(12)20/h3-7,10,18,26H,8-9H2,1-2H3,(H,25,27)
InChIKeyUDBMRXKPBPHSCJ-UHFFFAOYSA-N
XLogP5.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.41
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one with MolForge

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Related Compounds

9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 22117846
16-(3,4-dimethylphenyl)-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one
CID 139214982
11-(3,5-dichlorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one
CID 164576302
methyl 4-(3,4-difluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 2873238
9,9-dimethyl-12-(4-methylphenyl)-7,8,10,12-tetrahydrobenzo[a]acridin-11-one;ethane
CID 169270874
12-(3,4-difluorophenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthroline-11-thione
CID 135360731
12-(4-bromophenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[j][1,7]phenanthrolin-11-one
CID 139235282
12-[4-(hydroxymethyl)phenyl]-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 177269525
3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 985441
(4R)-4-(4-fluorophenyl)-7,7-dimethyl-1,2,4,6,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
CID 27878221
(12S)-12-(3,4-dimethoxyphenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 1265819
12-(6-bromo-3-pyridinyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11-one
CID 140930926

Frequently Asked Questions

What is the IUPAC name of 11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one?
The IUPAC name of 11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one (CID 140930928) is 11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one.
What is the SMILES notation for 11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one?
The canonical SMILES for 11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one is CC1(C)CC(=O)C2=C(C1)Nc1ccc3cn[nH]c3c1C2c1ccc(F)c(F)c1.
What is the InChIKey of 11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one?
The InChIKey is UDBMRXKPBPHSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O/c1-22(2)8-16-19(17(28)9-22)18(11-3-5-13(23)14(24)7-11)20-15(26-16)6-4-12-10-25-27-21(12)20/h3-7,10,18,26H,8-9H2,1-2H3,(H,25,27).
What are the key properties of 11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one?
11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one has a molecular weight of 379.41 g/mol, XLogP of 5.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,4-difluorophenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-1H-pyrazolo[5,4-a]acridin-10-one is sourced from PubChem (CID 140930928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).