1-(1,3-benzodioxole-5-carbonyl)-N-phenylindazole-3-carboxamide

C22H15N3O4 — CID 56673525

IUPAC1-(1,3-benzodioxole-5-carbonyl)-N-phenylindazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(C(=O)c2ccc3c(c2)OCO3)c2ccccc12
InChIInChI=1S/C22H15N3O4/c26-21(23-15-6-2-1-3-7-15)20-16-8-4-5-9-17(16)25(24-20)22(27)14-10-11-18-19(12-14)29-13-28-18/h1-12H,13H2,(H,23,26)
InChIKeyYDIRCKIYRSSNMI-UHFFFAOYSA-N
MW385.38 g/mol
LogP3.71
Rot. Bonds3

About 1-(1,3-benzodioxole-5-carbonyl)-N-phenylindazole-3-carboxamide

1-(1,3-benzodioxole-5-carbonyl)-N-phenylindazole-3-carboxamide (PubChem CID 56673525) has the molecular formula C22H15N3O4 and a molecular weight of 385.38 g/mol. Its IUPAC name is 1-(1,3-benzodioxole-5-carbonyl)-N-phenylindazole-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxole-5-carbonyl)-N-phenylindazole-3-carboxamide
PubChem CID56673525
Molecular FormulaC22H15N3O4
Molecular Weight385.38 g/mol
Exact Mass385.11
IUPAC Name1-(1,3-benzodioxole-5-carbonyl)-N-phenylindazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(C(=O)c2ccc3c(c2)OCO3)c2ccccc12
InChIInChI=1S/C22H15N3O4/c26-21(23-15-6-2-1-3-7-15)20-16-8-4-5-9-17(16)25(24-20)22(27)14-10-11-18-19(12-14)29-13-28-18/h1-12H,13H2,(H,23,26)
InChIKeyYDIRCKIYRSSNMI-UHFFFAOYSA-N
XLogP3.71
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)-N-phenylindazole-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxole-5-carbonyl)-N-phenylindazole-3-carboxamide (CID 56673525) is 1-(1,3-benzodioxole-5-carbonyl)-N-phenylindazole-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxole-5-carbonyl)-N-phenylindazole-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxole-5-carbonyl)-N-phenylindazole-3-carboxamide is O=C(Nc1ccccc1)c1nn(C(=O)c2ccc3c(c2)OCO3)c2ccccc12.
What is the InChIKey of 1-(1,3-benzodioxole-5-carbonyl)-N-phenylindazole-3-carboxamide?
The InChIKey is YDIRCKIYRSSNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O4/c26-21(23-15-6-2-1-3-7-15)20-16-8-4-5-9-17(16)25(24-20)22(27)14-10-11-18-19(12-14)29-13-28-18/h1-12H,13H2,(H,23,26).
What are the key properties of 1-(1,3-benzodioxole-5-carbonyl)-N-phenylindazole-3-carboxamide?
1-(1,3-benzodioxole-5-carbonyl)-N-phenylindazole-3-carboxamide has a molecular weight of 385.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxole-5-carbonyl)-N-phenylindazole-3-carboxamide is sourced from PubChem (CID 56673525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).