3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C29H23ClF3N3O2 — CID 5304685

IUPAC3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)c3c(-c4ccc(Cl)cc4)nn(-c4ccc(C)c(C)c4)c3n2)cc1OC
InChIInChI=1S/C29H23ClF3N3O2/c1-16-5-11-21(13-17(16)2)36-28-26(27(35-36)18-6-9-20(30)10-7-18)22(29(31,32)33)15-23(34-28)19-8-12-24(37-3)25(14-19)38-4/h5-15H,1-4H3
InChIKeyOLVCCHXAPLRMTG-UHFFFAOYSA-N
MW537.97 g/mol
LogP8.06
Rot. Bonds5

About 3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 5304685) has the molecular formula C29H23ClF3N3O2 and a molecular weight of 537.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID5304685
Molecular FormulaC29H23ClF3N3O2
Molecular Weight537.97 g/mol
Exact Mass537.14
IUPAC Name3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)c3c(-c4ccc(Cl)cc4)nn(-c4ccc(C)c(C)c4)c3n2)cc1OC
InChIInChI=1S/C29H23ClF3N3O2/c1-16-5-11-21(13-17(16)2)36-28-26(27(35-36)18-6-9-20(30)10-7-18)22(29(31,32)33)15-23(34-28)19-8-12-24(37-3)25(14-19)38-4/h5-15H,1-4H3
InChIKeyOLVCCHXAPLRMTG-UHFFFAOYSA-N
XLogP8.06
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.97
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 3864258
6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308154
1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308207
3-(4-chlorophenyl)-1-(4-methylphenyl)-6-[4-[(3-methylphenyl)methoxy]phenyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308198
5-chloro-3-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-4,6-dimethylpyrazolo[3,4-b]pyridine
CID 17308097
4-[6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]benzoic acid
CID 29090740
6-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-(3-chlorophenyl)-3-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17309053
3-(4-chlorophenyl)-6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308185
6-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497805
2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823490
6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-1-propan-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497932
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-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 5304685) is 3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is COc1ccc(-c2cc(C(F)(F)F)c3c(-c4ccc(Cl)cc4)nn(-c4ccc(C)c(C)c4)c3n2)cc1OC.
What is the InChIKey of 3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is OLVCCHXAPLRMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClF3N3O2/c1-16-5-11-21(13-17(16)2)36-28-26(27(35-36)18-6-9-20(30)10-7-18)22(29(31,32)33)15-23(34-28)19-8-12-24(37-3)25(14-19)38-4/h5-15H,1-4H3.
What are the key properties of 3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 537.97 g/mol, XLogP of 8.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 5304685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).