N-(1,3-benzodioxol-5-yl)-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C26H19N5O3 — CID 26687561

IUPACN-(1,3-benzodioxol-5-yl)-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C26H19N5O3/c32-26(29-19-6-7-23-24(12-19)34-16-33-23)20-13-22(18-4-2-1-3-5-18)30-25-21(20)14-28-31(25)15-17-8-10-27-11-9-17/h1-14H,15-16H2,(H,29,32)
InChIKeyJSTVDXKOQSKTLP-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.52
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 26687561) has the molecular formula C26H19N5O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID26687561
Molecular FormulaC26H19N5O3
Molecular Weight449.47 g/mol
Exact Mass449.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1
InChIInChI=1S/C26H19N5O3/c32-26(29-19-6-7-23-24(12-19)34-16-33-23)20-13-22(18-4-2-1-3-5-18)30-25-21(20)14-28-31(25)15-17-8-10-27-11-9-17/h1-14H,15-16H2,(H,29,32)
InChIKeyJSTVDXKOQSKTLP-UHFFFAOYSA-N
XLogP4.52
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 26687561) is N-(1,3-benzodioxol-5-yl)-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JSTVDXKOQSKTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O3/c32-26(29-19-6-7-23-24(12-19)34-16-33-23)20-13-22(18-4-2-1-3-5-18)30-25-21(20)14-28-31(25)15-17-8-10-27-11-9-17/h1-14H,15-16H2,(H,29,32).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 449.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 26687561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).