4-(2-hydroxypropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile

C17H13F3N4O2 — CID 168825162

IUPAC4-(2-hydroxypropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile
SMILESCC(C)(O)c1ccnc2c1c(C#N)nn2-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H13F3N4O2/c1-16(2,25)12-7-8-22-15-14(12)13(9-21)23-24(15)10-3-5-11(6-4-10)26-17(18,19)20/h3-8,25H,1-2H3
InChIKeySZSYLCNRCFEWLX-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.42
Rot. Bonds3

About 4-(2-hydroxypropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile

4-(2-hydroxypropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile (PubChem CID 168825162) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile
PubChem CID168825162
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name4-(2-hydroxypropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile
SMILESCC(C)(O)c1ccnc2c1c(C#N)nn2-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H13F3N4O2/c1-16(2,25)12-7-8-22-15-14(12)13(9-21)23-24(15)10-3-5-11(6-4-10)26-17(18,19)20/h3-8,25H,1-2H3
InChIKeySZSYLCNRCFEWLX-UHFFFAOYSA-N
XLogP3.42
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-hydroxycyclobutyl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 168825018
4-(1H-1,2,4-triazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 168825176
tert-butyl N-[[4-(2-hydroxyethylamino)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-3-yl]methyl]carbamate
CID 168825129
[4-(azetidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-3-yl]methanamine
CID 175593493
1-[[3-(aminomethyl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-4-yl]methyl]azetidin-3-ol
CID 168825136
4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 122442807
1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile
CID 71150273
[4-[3-(hydroxymethyl)azetidin-1-yl]-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-3-yl]methyl carbamate
CID 175593284
tert-butyl N-[[4-[(3-hydroxyazetidin-1-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-3-yl]methyl]carbamate
CID 168825156
3-cyclobutyl-4-(1,2,4-triazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine
CID 174081070
2-chloro-N-[[4-(hydroxymethyl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-3-yl]methyl]prop-2-enamide
CID 168825165
tert-butyl 4-[4-ethenyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridin-3-yl]piperazine-1-carboxylate
CID 168824818

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile (CID 168825162) is 4-(2-hydroxypropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile is CC(C)(O)c1ccnc2c1c(C#N)nn2-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile?
The InChIKey is SZSYLCNRCFEWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-16(2,25)12-7-8-22-15-14(12)13(9-21)23-24(15)10-3-5-11(6-4-10)26-17(18,19)20/h3-8,25H,1-2H3.
What are the key properties of 4-(2-hydroxypropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile?
4-(2-hydroxypropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile has a molecular weight of 362.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 168825162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).