6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C24H20F3N3O2 — CID 29091271

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1ccc(Cn2nc(C)c3c(C(F)(F)F)cc(-c4ccc5c(c4)OCCO5)nc32)cc1
InChIInChI=1S/C24H20F3N3O2/c1-14-3-5-16(6-4-14)13-30-23-22(15(2)29-30)18(24(25,26)27)12-19(28-23)17-7-8-20-21(11-17)32-10-9-31-20/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyMVEVZGQZRYXKMK-UHFFFAOYSA-N
MW439.44 g/mol
LogP5.55
Rot. Bonds3

About 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 29091271) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID29091271
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1ccc(Cn2nc(C)c3c(C(F)(F)F)cc(-c4ccc5c(c4)OCCO5)nc32)cc1
InChIInChI=1S/C24H20F3N3O2/c1-14-3-5-16(6-4-14)13-30-23-22(15(2)29-30)18(24(25,26)27)12-19(28-23)17-7-8-20-21(11-17)32-10-9-31-20/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyMVEVZGQZRYXKMK-UHFFFAOYSA-N
XLogP5.55
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-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 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 29091271) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1ccc(Cn2nc(C)c3c(C(F)(F)F)cc(-c4ccc5c(c4)OCCO5)nc32)cc1.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is MVEVZGQZRYXKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c1-14-3-5-16(6-4-14)13-30-23-22(15(2)29-30)18(24(25,26)27)12-19(28-23)17-7-8-20-21(11-17)32-10-9-31-20/h3-8,11-12H,9-10,13H2,1-2H3.
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 439.44 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29091271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).