2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide

C21H16N4O3 — CID 177233443

IUPAC2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C21H16N4O3/c26-20(9-13-3-6-18-19(8-13)28-12-27-18)23-21-16-10-14(4-5-17(16)24-25-21)15-2-1-7-22-11-15/h1-8,10-11H,9,12H2,(H2,23,24,25,26)
InChIKeyHNICGOXBNGVXRB-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.53
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide (PubChem CID 177233443) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide
PubChem CID177233443
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)Nc1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C21H16N4O3/c26-20(9-13-3-6-18-19(8-13)28-12-27-18)23-21-16-10-14(4-5-17(16)24-25-21)15-2-1-7-22-11-15/h1-8,10-11H,9,12H2,(H2,23,24,25,26)
InChIKeyHNICGOXBNGVXRB-UHFFFAOYSA-N
XLogP3.53
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide (CID 177233443) is 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide is O=C(Cc1ccc2c(c1)OCO2)Nc1n[nH]c2ccc(-c3cccnc3)cc12.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide?
The InChIKey is HNICGOXBNGVXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-20(9-13-3-6-18-19(8-13)28-12-27-18)23-21-16-10-14(4-5-17(16)24-25-21)15-2-1-7-22-11-15/h1-8,10-11H,9,12H2,(H2,23,24,25,26).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide has a molecular weight of 372.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide is sourced from PubChem (CID 177233443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).