5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1H-pyrazolo[3,4-b]pyridine

C17H14F3N5 — CID 122654695

IUPAC5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1H-pyrazolo[3,4-b]pyridine
SMILESCC(C)c1cc2ccc(C(F)(F)F)nc2n1-c1cnc2[nH]ncc2c1
InChIInChI=1S/C17H14F3N5/c1-9(2)13-6-10-3-4-14(17(18,19)20)23-16(10)25(13)12-5-11-7-22-24-15(11)21-8-12/h3-9H,1-2H3,(H,21,22,24)
InChIKeyZWNDJSJXCLZUKD-UHFFFAOYSA-N
MW345.33 g/mol
LogP4.44
Rot. Bonds2

About 5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1H-pyrazolo[3,4-b]pyridine

5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1H-pyrazolo[3,4-b]pyridine (PubChem CID 122654695) has the molecular formula C17H14F3N5 and a molecular weight of 345.33 g/mol. Its IUPAC name is 5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1H-pyrazolo[3,4-b]pyridine
PubChem CID122654695
Molecular FormulaC17H14F3N5
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Name5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1H-pyrazolo[3,4-b]pyridine
SMILESCC(C)c1cc2ccc(C(F)(F)F)nc2n1-c1cnc2[nH]ncc2c1
InChIInChI=1S/C17H14F3N5/c1-9(2)13-6-10-3-4-14(17(18,19)20)23-16(10)25(13)12-5-11-7-22-24-15(11)21-8-12/h3-9H,1-2H3,(H,21,22,24)
InChIKeyZWNDJSJXCLZUKD-UHFFFAOYSA-N
XLogP4.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-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 5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1H-pyrazolo[3,4-b]pyridine (CID 122654695) is 5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1H-pyrazolo[3,4-b]pyridine is CC(C)c1cc2ccc(C(F)(F)F)nc2n1-c1cnc2[nH]ncc2c1.
What is the InChIKey of 5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is ZWNDJSJXCLZUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5/c1-9(2)13-6-10-3-4-14(17(18,19)20)23-16(10)25(13)12-5-11-7-22-24-15(11)21-8-12/h3-9H,1-2H3,(H,21,22,24).
What are the key properties of 5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1H-pyrazolo[3,4-b]pyridine?
5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 345.33 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-propan-2-yl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 122654695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).