N-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide

C16H13N3O2 — CID 38588569

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1n[nH]c2ccccc12
InChIInChI=1S/C16H13N3O2/c20-16(15-12-3-1-2-4-13(12)18-19-15)17-11-5-6-14-10(9-11)7-8-21-14/h1-6,9H,7-8H2,(H,17,20)(H,18,19)
InChIKeyUDUQVJXXKADAEA-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.75
Rot. Bonds2

About N-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide

N-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide (PubChem CID 38588569) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide
PubChem CID38588569
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1n[nH]c2ccccc12
InChIInChI=1S/C16H13N3O2/c20-16(15-12-3-1-2-4-13(12)18-19-15)17-11-5-6-14-10(9-11)7-8-21-14/h1-6,9H,7-8H2,(H,17,20)(H,18,19)
InChIKeyUDUQVJXXKADAEA-UHFFFAOYSA-N
XLogP2.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide (CID 38588569) is N-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide is O=C(Nc1ccc2c(c1)CCO2)c1n[nH]c2ccccc12.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide?
The InChIKey is UDUQVJXXKADAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-16(15-12-3-1-2-4-13(12)18-19-15)17-11-5-6-14-10(9-11)7-8-21-14/h1-6,9H,7-8H2,(H,17,20)(H,18,19).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide?
N-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 38588569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).