4-(3,5-difluoro-4-propan-2-ylphenyl)-2-(trideuteriomethyl)pyrazolo[3,4-b]pyridine

C16H15F2N3 — CID 171760273

IUPAC4-(3,5-difluoro-4-propan-2-ylphenyl)-2-(trideuteriomethyl)pyrazolo[3,4-b]pyridine
SMILES[2H]C([2H])([2H])n1cc2c(-c3cc(F)c(C(C)C)c(F)c3)ccnc2n1
InChIInChI=1S/C16H15F2N3/c1-9(2)15-13(17)6-10(7-14(15)18)11-4-5-19-16-12(11)8-21(3)20-16/h4-9H,1-3H3/i3D3
InChIKeyLEBIOCTUTYCYHO-HPRDVNIFSA-N
MW290.33 g/mol
LogP4.04
Rot. Bonds3

About 4-(3,5-difluoro-4-propan-2-ylphenyl)-2-(trideuteriomethyl)pyrazolo[3,4-b]pyridine

4-(3,5-difluoro-4-propan-2-ylphenyl)-2-(trideuteriomethyl)pyrazolo[3,4-b]pyridine (PubChem CID 171760273) has the molecular formula C16H15F2N3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-(3,5-difluoro-4-propan-2-ylphenyl)-2-(trideuteriomethyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-(3,5-difluoro-4-propan-2-ylphenyl)-2-(trideuteriomethyl)pyrazolo[3,4-b]pyridine
PubChem CID171760273
Molecular FormulaC16H15F2N3
Molecular Weight290.33 g/mol
Exact Mass290.14
IUPAC Name4-(3,5-difluoro-4-propan-2-ylphenyl)-2-(trideuteriomethyl)pyrazolo[3,4-b]pyridine
SMILES[2H]C([2H])([2H])n1cc2c(-c3cc(F)c(C(C)C)c(F)c3)ccnc2n1
InChIInChI=1S/C16H15F2N3/c1-9(2)15-13(17)6-10(7-14(15)18)11-4-5-19-16-12(11)8-21(3)20-16/h4-9H,1-3H3/i3D3
InChIKeyLEBIOCTUTYCYHO-HPRDVNIFSA-N
XLogP4.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-4-propan-2-ylphenyl)-2-(trideuteriomethyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-(3,5-difluoro-4-propan-2-ylphenyl)-2-(trideuteriomethyl)pyrazolo[3,4-b]pyridine (CID 171760273) is 4-(3,5-difluoro-4-propan-2-ylphenyl)-2-(trideuteriomethyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-(3,5-difluoro-4-propan-2-ylphenyl)-2-(trideuteriomethyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-(3,5-difluoro-4-propan-2-ylphenyl)-2-(trideuteriomethyl)pyrazolo[3,4-b]pyridine is [2H]C([2H])([2H])n1cc2c(-c3cc(F)c(C(C)C)c(F)c3)ccnc2n1.
What is the InChIKey of 4-(3,5-difluoro-4-propan-2-ylphenyl)-2-(trideuteriomethyl)pyrazolo[3,4-b]pyridine?
The InChIKey is LEBIOCTUTYCYHO-HPRDVNIFSA-N. The full InChI is InChI=1S/C16H15F2N3/c1-9(2)15-13(17)6-10(7-14(15)18)11-4-5-19-16-12(11)8-21(3)20-16/h4-9H,1-3H3/i3D3.
What are the key properties of 4-(3,5-difluoro-4-propan-2-ylphenyl)-2-(trideuteriomethyl)pyrazolo[3,4-b]pyridine?
4-(3,5-difluoro-4-propan-2-ylphenyl)-2-(trideuteriomethyl)pyrazolo[3,4-b]pyridine has a molecular weight of 290.33 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoro-4-propan-2-ylphenyl)-2-(trideuteriomethyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 171760273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).