N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H20N4O4 — CID 56579846

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCc3cccc4c3OCCO4)c12
InChIInChI=1S/C22H20N4O4/c1-13-19-15(11-16(17-7-4-8-28-17)24-21(19)26(2)25-13)22(27)23-12-14-5-3-6-18-20(14)30-10-9-29-18/h3-8,11H,9-10,12H2,1-2H3,(H,23,27)
InChIKeyNYEXVFLVHJAAOY-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.24
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 56579846) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID56579846
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCc3cccc4c3OCCO4)c12
InChIInChI=1S/C22H20N4O4/c1-13-19-15(11-16(17-7-4-8-28-17)24-21(19)26(2)25-13)22(27)23-12-14-5-3-6-18-20(14)30-10-9-29-18/h3-8,11H,9-10,12H2,1-2H3,(H,23,27)
InChIKeyNYEXVFLVHJAAOY-UHFFFAOYSA-N
XLogP3.24
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 56579846) is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)NCc3cccc4c3OCCO4)c12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NYEXVFLVHJAAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-13-19-15(11-16(17-7-4-8-28-17)24-21(19)26(2)25-13)22(27)23-12-14-5-3-6-18-20(14)30-10-9-29-18/h3-8,11H,9-10,12H2,1-2H3,(H,23,27).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 56579846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).