N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C19H19F3N4O — CID 51112770

IUPACN-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)N(C)Cc3ccccc3C(F)(F)F)cnc21
InChIInChI=1S/C19H19F3N4O/c1-12(2)26-17-14(10-24-26)8-15(9-23-17)18(27)25(3)11-13-6-4-5-7-16(13)19(20,21)22/h4-10,12H,11H2,1-3H3
InChIKeyGSZBIYTUDSKAQL-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.30
Rot. Bonds4

About N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 51112770) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID51112770
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC NameN-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)N(C)Cc3ccccc3C(F)(F)F)cnc21
InChIInChI=1S/C19H19F3N4O/c1-12(2)26-17-14(10-24-26)8-15(9-23-17)18(27)25(3)11-13-6-4-5-7-16(13)19(20,21)22/h4-10,12H,11H2,1-3H3
InChIKeyGSZBIYTUDSKAQL-UHFFFAOYSA-N
XLogP4.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 51112770) is N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1ncc2cc(C(=O)N(C)Cc3ccccc3C(F)(F)F)cnc21.
What is the InChIKey of N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is GSZBIYTUDSKAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-12(2)26-17-14(10-24-26)8-15(9-23-17)18(27)25(3)11-13-6-4-5-7-16(13)19(20,21)22/h4-10,12H,11H2,1-3H3.
What are the key properties of N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 51112770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).