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

C20H10Cl4F3N3 — CID 17308101

IUPAC6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c2nc(-c3ccc(Cl)cc3Cl)cc(C(F)(F)F)c12
InChIInChI=1S/C20H10Cl4F3N3/c1-9-18-13(20(25,26)27)8-17(12-4-2-10(21)6-15(12)23)28-19(18)30(29-9)11-3-5-14(22)16(24)7-11/h2-8H,1H3
InChIKeyWDRFTDKCXDFZKI-UHFFFAOYSA-N
MW491.13 g/mol
LogP8.03
Rot. Bonds2

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

6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 17308101) has the molecular formula C20H10Cl4F3N3 and a molecular weight of 491.13 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID17308101
Molecular FormulaC20H10Cl4F3N3
Molecular Weight491.13 g/mol
Exact Mass488.96
IUPAC Name6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc(Cl)c(Cl)c2)c2nc(-c3ccc(Cl)cc3Cl)cc(C(F)(F)F)c12
InChIInChI=1S/C20H10Cl4F3N3/c1-9-18-13(20(25,26)27)8-17(12-4-2-10(21)6-15(12)23)28-19(18)30(29-9)11-3-5-14(22)16(24)7-11/h2-8H,1H3
InChIKeyWDRFTDKCXDFZKI-UHFFFAOYSA-N
XLogP8.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.13
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308154
1-(3,4-dichlorophenyl)-3-methyl-6-pyridin-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308117
1-(3,4-dichlorophenyl)-6-(4-hexoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308119
6-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17307964
6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29090878
1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308003
1-[(4-chlorophenyl)methyl]-6-(1-ethyl-5-methylpyrazol-4-yl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29096413
1-(4-bromophenyl)-3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308004
1-(3-chloro-4-methylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
CID 17308035
6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308052
3-methyl-1-(4-nitrophenyl)-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308050
3-(4-chlorophenyl)-6-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 5304685

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 17308101) is 6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1nn(-c2ccc(Cl)c(Cl)c2)c2nc(-c3ccc(Cl)cc3Cl)cc(C(F)(F)F)c12.
What is the InChIKey of 6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is WDRFTDKCXDFZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl4F3N3/c1-9-18-13(20(25,26)27)8-17(12-4-2-10(21)6-15(12)23)28-19(18)30(29-9)11-3-5-14(22)16(24)7-11/h2-8H,1H3.
What are the key properties of 6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 491.13 g/mol, XLogP of 8.03, 2 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-(3,4-dichlorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17308101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).