N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

C24H17N5O3 — CID 59812146

IUPACN-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1
InChIInChI=1S/C24H17N5O3/c30-24(29-18-5-6-21-22(8-18)32-13-31-21)15-3-1-14(2-4-15)16-7-19-20(17-10-27-28-11-17)12-26-23(19)25-9-16/h1-12H,13H2,(H,25,26)(H,27,28)(H,29,30)
InChIKeyMPSZNYHWFPIBLW-UHFFFAOYSA-N
MW423.43 g/mol
LogP4.60
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (PubChem CID 59812146) has the molecular formula C24H17N5O3 and a molecular weight of 423.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
PubChem CID59812146
Molecular FormulaC24H17N5O3
Molecular Weight423.43 g/mol
Exact Mass423.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1
InChIInChI=1S/C24H17N5O3/c30-24(29-18-5-6-21-22(8-18)32-13-31-21)15-3-1-14(2-4-15)16-7-19-20(17-10-27-28-11-17)12-26-23(19)25-9-16/h1-12H,13H2,(H,25,26)(H,27,28)(H,29,30)
InChIKeyMPSZNYHWFPIBLW-UHFFFAOYSA-N
XLogP4.60
TPSA104.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (CID 59812146) is N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The InChIKey is MPSZNYHWFPIBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O3/c30-24(29-18-5-6-21-22(8-18)32-13-31-21)15-3-1-14(2-4-15)16-7-19-20(17-10-27-28-11-17)12-26-23(19)25-9-16/h1-12H,13H2,(H,25,26)(H,27,28)(H,29,30).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide has a molecular weight of 423.43 g/mol, XLogP of 4.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 59812146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).