6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C27H18Cl2F3N3 — CID 17308154

IUPAC6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1ccc(-c2nn(-c3ccc(C)cc3)c3nc(-c4ccc(Cl)cc4Cl)cc(C(F)(F)F)c23)cc1
InChIInChI=1S/C27H18Cl2F3N3/c1-15-3-7-17(8-4-15)25-24-21(27(30,31)32)14-23(20-12-9-18(28)13-22(20)29)33-26(24)35(34-25)19-10-5-16(2)6-11-19/h3-14H,1-2H3
InChIKeyNJUYBJSYDIXROD-UHFFFAOYSA-N
MW512.36 g/mol
LogP8.70
Rot. Bonds3

About 6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 17308154) has the molecular formula C27H18Cl2F3N3 and a molecular weight of 512.36 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID17308154
Molecular FormulaC27H18Cl2F3N3
Molecular Weight512.36 g/mol
Exact Mass511.08
IUPAC Name6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1ccc(-c2nn(-c3ccc(C)cc3)c3nc(-c4ccc(Cl)cc4Cl)cc(C(F)(F)F)c23)cc1
InChIInChI=1S/C27H18Cl2F3N3/c1-15-3-7-17(8-4-15)25-24-21(27(30,31)32)14-23(20-12-9-18(28)13-22(20)29)33-26(24)35(34-25)19-10-5-16(2)6-11-19/h3-14H,1-2H3
InChIKeyNJUYBJSYDIXROD-UHFFFAOYSA-N
XLogP8.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.36
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308101
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
1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308207
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
3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 5304685
6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17307964
1-(3,4-dichlorophenyl)-6-(4-hexoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308119
1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308117
6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29090878
4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole
CID 24954864

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 17308154) is 6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1ccc(-c2nn(-c3ccc(C)cc3)c3nc(-c4ccc(Cl)cc4Cl)cc(C(F)(F)F)c23)cc1.
What is the InChIKey of 6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is NJUYBJSYDIXROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2F3N3/c1-15-3-7-17(8-4-15)25-24-21(27(30,31)32)14-23(20-12-9-18(28)13-22(20)29)33-26(24)35(34-25)19-10-5-16(2)6-11-19/h3-14H,1-2H3.
What are the key properties of 6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 512.36 g/mol, XLogP of 8.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17308154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).