5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine

C22H19Cl2N3 — CID 17308097

IUPAC5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine
SMILESCc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c(C)c(Cl)c(C)nc32)cc1C
InChIInChI=1S/C22H19Cl2N3/c1-12-5-10-18(11-13(12)2)27-22-19(14(3)20(24)15(4)25-22)21(26-27)16-6-8-17(23)9-7-16/h5-11H,1-4H3
InChIKeyQJZOMCZHWPARFE-UHFFFAOYSA-N
MW396.32 g/mol
LogP6.63
Rot. Bonds2

About 5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine

5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine (PubChem CID 17308097) has the molecular formula C22H19Cl2N3 and a molecular weight of 396.32 g/mol. Its IUPAC name is 5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine
PubChem CID17308097
Molecular FormulaC22H19Cl2N3
Molecular Weight396.32 g/mol
Exact Mass395.10
IUPAC Name5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine
SMILESCc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c(C)c(Cl)c(C)nc32)cc1C
InChIInChI=1S/C22H19Cl2N3/c1-12-5-10-18(11-13(12)2)27-22-19(14(3)20(24)15(4)25-22)21(26-27)16-6-8-17(23)9-7-16/h5-11H,1-4H3
InChIKeyQJZOMCZHWPARFE-UHFFFAOYSA-N
XLogP6.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.32
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 1480891
3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 5304685
1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
CID 17308016
1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
CID 17308035
1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308207
1-(4-chlorophenyl)-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19587253
4-azido-5-(2-chloroethyl)-3-(4-chlorophenyl)-6-methyl-1-phenylpyrazolo[3,4-b]pyridine
CID 25148231
6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308154
2-[4-chloro-3,5-bis(3,4-dimethylphenyl)pyrazol-1-yl]-4-(4-chlorophenyl)-1,3-thiazole
CID 17025576
5-(4-chlorophenyl)-11-(3,4-dimethylphenyl)-3-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-10,12-dione
CID 66507823
1-[(4-chlorophenyl)methyl]-3,5-bis(3,4-dimethylphenyl)-4-methylpyrazole
CID 19587205
N-benzyl-4-(4-chlorophenyl)-6-methyl-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 101462732

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine?
The IUPAC name of 5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine (CID 17308097) is 5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine is Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3c(C)c(Cl)c(C)nc32)cc1C.
What is the InChIKey of 5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine?
The InChIKey is QJZOMCZHWPARFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3/c1-12-5-10-18(11-13(12)2)27-22-19(14(3)20(24)15(4)25-22)21(26-27)16-6-8-17(23)9-7-16/h5-11H,1-4H3.
What are the key properties of 5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine?
5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine has a molecular weight of 396.32 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 17308097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).