3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

C20H13ClF3N3 — CID 3877626

IUPAC3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCC1=CC(=C2C(=NN(C2=N1)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(F)(F)F
InChIInChI=1S/C20H13ClF3N3/c1-12-11-16(20(22,23)24)17-18(13-7-9-14(21)10-8-13)26-27(19(17)25-12)15-5-3-2-4-6-15/h2-11H,1H3
InChIKeyPQRVRGRTTAGJNV-UHFFFAOYSA-N
MW387.80 g/mol
LogP6.10
Rot. Bonds2

About 3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine (PubChem CID 3877626) has the molecular formula C20H13ClF3N3 and a molecular weight of 387.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
PubChem CID3877626
Molecular FormulaC20H13ClF3N3
Molecular Weight387.80 g/mol
Exact Mass387.08
IUPAC Name3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCC1=CC(=C2C(=NN(C2=N1)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(F)(F)F
InChIInChI=1S/C20H13ClF3N3/c1-12-11-16(20(22,23)24)17-18(13-7-9-14(21)10-8-13)26-27(19(17)25-12)15-5-3-2-4-6-15/h2-11H,1H3
InChIKeyPQRVRGRTTAGJNV-UHFFFAOYSA-N
XLogP6.10
TPSA30.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity503

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.80
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine (CID 3877626) is 3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine is CC1=CC(=C2C(=NN(C2=N1)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(F)(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is PQRVRGRTTAGJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3/c1-12-11-16(20(22,23)24)17-18(13-7-9-14(21)10-8-13)26-27(19(17)25-12)15-5-3-2-4-6-15/h2-11H,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine?
3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 387.80 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 3877626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).