N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C18H22N4O3 — CID 111696565

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)c2cc(C)oc2C)c2cnn(C)c2n1
InChIInChI=1S/C18H22N4O3/c1-10-6-13(14-8-20-22(5)16(14)21-10)17(23)19-9-18(4,24)15-7-11(2)25-12(15)3/h6-8,24H,9H2,1-5H3,(H,19,23)
InChIKeyNUVXGFRIGASXEA-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.12
Rot. Bonds4

About N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 111696565) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID111696565
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)c2cc(C)oc2C)c2cnn(C)c2n1
InChIInChI=1S/C18H22N4O3/c1-10-6-13(14-8-20-22(5)16(14)21-10)17(23)19-9-18(4,24)15-7-11(2)25-12(15)3/h6-8,24H,9H2,1-5H3,(H,19,23)
InChIKeyNUVXGFRIGASXEA-UHFFFAOYSA-N
XLogP2.12
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 111696565) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCC(C)(O)c2cc(C)oc2C)c2cnn(C)c2n1.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is NUVXGFRIGASXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-10-6-13(14-8-20-22(5)16(14)21-10)17(23)19-9-18(4,24)15-7-11(2)25-12(15)3/h6-8,24H,9H2,1-5H3,(H,19,23).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 111696565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).