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

C18H22N4O3 — CID 111478937

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)c2cnc3c(c2)c(C)nn3C)c(C)o1
InChIInChI=1S/C18H22N4O3/c1-10-6-15(12(3)25-10)18(4,24)9-20-17(23)13-7-14-11(2)21-22(5)16(14)19-8-13/h6-8,24H,9H2,1-5H3,(H,20,23)
InChIKeyRQXBXSGAKCTOEK-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.12
Rot. Bonds4

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

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 111478937) 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]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID111478937
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)c2cnc3c(c2)c(C)nn3C)c(C)o1
InChIInChI=1S/C18H22N4O3/c1-10-6-15(12(3)25-10)18(4,24)9-20-17(23)13-7-14-11(2)21-22(5)16(14)19-8-13/h6-8,24H,9H2,1-5H3,(H,20,23)
InChIKeyRQXBXSGAKCTOEK-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]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 111478937) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1cc(C(C)(O)CNC(=O)c2cnc3c(c2)c(C)nn3C)c(C)o1.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is RQXBXSGAKCTOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-10-6-15(12(3)25-10)18(4,24)9-20-17(23)13-7-14-11(2)21-22(5)16(14)19-8-13/h6-8,24H,9H2,1-5H3,(H,20,23).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-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]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 111478937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).