3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-5-carboxamide

C16H13N3O3 — CID 22479727

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3ccc4c(c3)OCCO4)c2c1
InChIInChI=1S/C16H13N3O3/c17-16(20)10-1-3-12-11(7-10)15(19-18-12)9-2-4-13-14(8-9)22-6-5-21-13/h1-4,7-8H,5-6H2,(H2,17,20)(H,18,19)
InChIKeyCPOYUFLZNWXQGD-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.10
Rot. Bonds2

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-5-carboxamide

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-5-carboxamide (PubChem CID 22479727) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-5-carboxamide
PubChem CID22479727
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3ccc4c(c3)OCCO4)c2c1
InChIInChI=1S/C16H13N3O3/c17-16(20)10-1-3-12-11(7-10)15(19-18-12)9-2-4-13-14(8-9)22-6-5-21-13/h1-4,7-8H,5-6H2,(H2,17,20)(H,18,19)
InChIKeyCPOYUFLZNWXQGD-UHFFFAOYSA-N
XLogP2.10
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-5-carboxamide (CID 22479727) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-5-carboxamide is NC(=O)c1ccc2[nH]nc(-c3ccc4c(c3)OCCO4)c2c1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-5-carboxamide?
The InChIKey is CPOYUFLZNWXQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-16(20)10-1-3-12-11(7-10)15(19-18-12)9-2-4-13-14(8-9)22-6-5-21-13/h1-4,7-8H,5-6H2,(H2,17,20)(H,18,19).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-5-carboxamide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-5-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 22479727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).