3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C32H19Cl3F3N3O — CID 17308185

IUPAC3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc2c1c(-c1ccc(Cl)cc1)nn2-c1ccccc1
InChIInChI=1S/C32H19Cl3F3N3O/c33-22-11-6-20(7-12-22)30-29-26(32(36,37)38)17-28(39-31(29)41(40-30)24-4-2-1-3-5-24)19-9-14-25(15-10-19)42-18-21-8-13-23(34)16-27(21)35/h1-17H,18H2
InChIKeyMGPCQKBGZZCDAS-UHFFFAOYSA-N
MW624.88 g/mol
LogP10.31
Rot. Bonds6

About 3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 17308185) has the molecular formula C32H19Cl3F3N3O and a molecular weight of 624.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID17308185
Molecular FormulaC32H19Cl3F3N3O
Molecular Weight624.88 g/mol
Exact Mass623.05
IUPAC Name3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc2c1c(-c1ccc(Cl)cc1)nn2-c1ccccc1
InChIInChI=1S/C32H19Cl3F3N3O/c33-22-11-6-20(7-12-22)30-29-26(32(36,37)38)17-28(39-31(29)41(40-30)24-4-2-1-3-5-24)19-9-14-25(15-10-19)42-18-21-8-13-23(34)16-27(21)35/h1-17H,18H2
InChIKeyMGPCQKBGZZCDAS-UHFFFAOYSA-N
XLogP10.31
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.88
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17307964
3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 3864258
3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308198
6-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-(3-chlorophenyl)-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17309053
6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308154
3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 5304685
3-(4-chlorophenyl)-5-[4-[(2-chlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 66522142
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-benzothiazole
CID 91678634
1-(3,4-dichlorophenyl)-6-(4-hexoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308119
3-cyclopropyl-6-naphthalen-2-yl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17026129
1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
CID 60627955
6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308101

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 17308185) is 3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is FC(F)(F)c1cc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc2c1c(-c1ccc(Cl)cc1)nn2-c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is MGPCQKBGZZCDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19Cl3F3N3O/c33-22-11-6-20(7-12-22)30-29-26(32(36,37)38)17-28(39-31(29)41(40-30)24-4-2-1-3-5-24)19-9-14-25(15-10-19)42-18-21-8-13-23(34)16-27(21)35/h1-17H,18H2.
What are the key properties of 3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 624.88 g/mol, XLogP of 10.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17308185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).