4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide

C14H10N4O3 — CID 59805786

IUPAC4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESNC(=O)c1cc(-c2ccc3c(c2)OCO3)c2cn[nH]c2n1
InChIInChI=1S/C14H10N4O3/c15-13(19)10-4-8(9-5-16-18-14(9)17-10)7-1-2-11-12(3-7)21-6-20-11/h1-5H,6H2,(H2,15,19)(H,16,17,18)
InChIKeyZYQSDPZMIOKKID-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.45
Rot. Bonds2

About 4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide

4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 59805786) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID59805786
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESNC(=O)c1cc(-c2ccc3c(c2)OCO3)c2cn[nH]c2n1
InChIInChI=1S/C14H10N4O3/c15-13(19)10-4-8(9-5-16-18-14(9)17-10)7-1-2-11-12(3-7)21-6-20-11/h1-5H,6H2,(H2,15,19)(H,16,17,18)
InChIKeyZYQSDPZMIOKKID-UHFFFAOYSA-N
XLogP1.45
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide (CID 59805786) is 4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide is NC(=O)c1cc(-c2ccc3c(c2)OCO3)c2cn[nH]c2n1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is ZYQSDPZMIOKKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c15-13(19)10-4-8(9-5-16-18-14(9)17-10)7-1-2-11-12(3-7)21-6-20-11/h1-5H,6H2,(H2,15,19)(H,16,17,18).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide?
4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 59805786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).