6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine

C20H9Cl3F6N4 — CID 123998199

IUPAC6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1c2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C20H9Cl3F6N4/c21-10-3-1-8(2-4-10)14-7-11(20(27,28)29)15-17(30)33(32-18(15)31-14)16-12(22)5-9(6-13(16)23)19(24,25)26/h1-7H,30H2
InChIKeyFTBRJMLKSAYKDB-UHFFFAOYSA-N
MW525.67 g/mol
LogP7.67
Rot. Bonds2

About 6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine

6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 123998199) has the molecular formula C20H9Cl3F6N4 and a molecular weight of 525.67 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine
PubChem CID123998199
Molecular FormulaC20H9Cl3F6N4
Molecular Weight525.67 g/mol
Exact Mass523.98
IUPAC Name6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1c2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C20H9Cl3F6N4/c21-10-3-1-8(2-4-10)14-7-11(20(27,28)29)15-17(30)33(32-18(15)31-14)16-12(22)5-9(6-13(16)23)19(24,25)26/h1-7H,30H2
InChIKeyFTBRJMLKSAYKDB-UHFFFAOYSA-N
XLogP7.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.67
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chlorophenyl)sulfanyl-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 123278195
2-(2,4,6-trichlorophenyl)-4,6-bis(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 77050656
2-[2-chloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]pyrazolo[3,4-b]pyridin-3-amine
CID 90344275
3,5-diamino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 22618350
3-(4-chlorophenyl)-1,6-diphenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 3864258
6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 57468704
3-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazol-5-amine
CID 22618473
5-(4-chlorophenyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(oxan-4-yl)pyrazole
CID 73293798
potassium 5-amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-4-sulfonate
CID 138394704
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-fluoropyrazole-4-carbaldehyde
CID 22618567
6-(4-chlorophenyl)-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 29091098
3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 11494474

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine (CID 123998199) is 6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine is Nc1c2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is FTBRJMLKSAYKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9Cl3F6N4/c21-10-3-1-8(2-4-10)14-7-11(20(27,28)29)15-17(30)33(32-18(15)31-14)16-12(22)5-9(6-13(16)23)19(24,25)26/h1-7H,30H2.
What are the key properties of 6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine?
6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 525.67 g/mol, XLogP of 7.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 123998199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).