3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C18H12Cl3N3O — CID 135621381

IUPAC3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(c2ccc(Cl)cc2Cl)c2c(n[nH]c2-c2ccc(Cl)cc2)N1
InChIInChI=1S/C18H12Cl3N3O/c19-10-3-1-9(2-4-10)17-16-13(8-15(25)22-18(16)24-23-17)12-6-5-11(20)7-14(12)21/h1-7,13H,8H2,(H2,22,23,24,25)
InChIKeyAXHMQEPKKWHHCU-UHFFFAOYSA-N
MW392.67 g/mol
LogP5.51
Rot. Bonds2

About 3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 135621381) has the molecular formula C18H12Cl3N3O and a molecular weight of 392.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID135621381
Molecular FormulaC18H12Cl3N3O
Molecular Weight392.67 g/mol
Exact Mass391.00
IUPAC Name3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(c2ccc(Cl)cc2Cl)c2c(n[nH]c2-c2ccc(Cl)cc2)N1
InChIInChI=1S/C18H12Cl3N3O/c19-10-3-1-9(2-4-10)17-16-13(8-15(25)22-18(16)24-23-17)12-6-5-11(20)7-14(12)21/h1-7,13H,8H2,(H2,22,23,24,25)
InChIKeyAXHMQEPKKWHHCU-UHFFFAOYSA-N
XLogP5.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one with MolForge

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Related Compounds

3,4-bis(4-chlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621383
(4R)-4-(2-chlorophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135577812
(4S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136718297
(4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136915567
3-(4-chlorophenyl)-4-(4-ethoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135620687
2-amino-5-(2,4-dichlorophenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135472186
(5S)-5-(2,4-dichlorophenyl)-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135622736
(1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673088
(4R)-4-(2,4-dichlorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826052
4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 135621384
4-(2,4-dichlorophenyl)piperidine-2,6-dione
CID 63156604
(4S)-4-(2,4-dichlorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878751

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 135621381) is 3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is O=C1CC(c2ccc(Cl)cc2Cl)c2c(n[nH]c2-c2ccc(Cl)cc2)N1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is AXHMQEPKKWHHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3N3O/c19-10-3-1-9(2-4-10)17-16-13(8-15(25)22-18(16)24-23-17)12-6-5-11(20)7-14(12)21/h1-7,13H,8H2,(H2,22,23,24,25).
What are the key properties of 3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 392.67 g/mol, XLogP of 5.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 135621381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).