N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C19H20N4O3 — CID 32686520

IUPACN-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc4c(c3)OCO4)c12
InChIInChI=1S/C19H20N4O3/c1-10(2)14-8-13(17-11(3)22-23(4)18(17)21-14)19(24)20-12-5-6-15-16(7-12)26-9-25-15/h5-8,10H,9H2,1-4H3,(H,20,24)
InChIKeyKBYGUTBITVTIFA-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.38
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 32686520) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID32686520
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc4c(c3)OCO4)c12
InChIInChI=1S/C19H20N4O3/c1-10(2)14-8-13(17-11(3)22-23(4)18(17)21-14)19(24)20-12-5-6-15-16(7-12)26-9-25-15/h5-8,10H,9H2,1-4H3,(H,20,24)
InChIKeyKBYGUTBITVTIFA-UHFFFAOYSA-N
XLogP3.38
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 32686520) is N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc4c(c3)OCO4)c12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KBYGUTBITVTIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-10(2)14-8-13(17-11(3)22-23(4)18(17)21-14)19(24)20-12-5-6-15-16(7-12)26-9-25-15/h5-8,10H,9H2,1-4H3,(H,20,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 32686520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).