N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C19H30N4O2 — CID 109381046

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)Cn1ncc2cc(C(=O)NCC(C)(C)C(O)C(C)C)cnc21
InChIInChI=1S/C19H30N4O2/c1-12(2)10-23-17-14(9-22-23)7-15(8-20-17)18(25)21-11-19(5,6)16(24)13(3)4/h7-9,12-13,16,24H,10-11H2,1-6H3,(H,21,25)
InChIKeyNOBWSRUEGSQAFZ-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.86
Rot. Bonds7

About N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 109381046) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID109381046
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)Cn1ncc2cc(C(=O)NCC(C)(C)C(O)C(C)C)cnc21
InChIInChI=1S/C19H30N4O2/c1-12(2)10-23-17-14(9-22-23)7-15(8-20-17)18(25)21-11-19(5,6)16(24)13(3)4/h7-9,12-13,16,24H,10-11H2,1-6H3,(H,21,25)
InChIKeyNOBWSRUEGSQAFZ-UHFFFAOYSA-N
XLogP2.86
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 109381046) is N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)Cn1ncc2cc(C(=O)NCC(C)(C)C(O)C(C)C)cnc21.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is NOBWSRUEGSQAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-12(2)10-23-17-14(9-22-23)7-15(8-20-17)18(25)21-11-19(5,6)16(24)13(3)4/h7-9,12-13,16,24H,10-11H2,1-6H3,(H,21,25).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 109381046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).