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

C16H13N3O2 — CID 22479895

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1
InChIInChI=1S/C16H13N3O2/c17-16(20)11-1-3-13-12(8-11)15(19-18-13)10-2-4-14-9(7-10)5-6-21-14/h1-4,7-8H,5-6H2,(H2,17,20)(H,18,19)
InChIKeyNDHIBPDWTAEUQR-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.26
Rot. Bonds2

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

3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide (PubChem CID 22479895) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide
PubChem CID22479895
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1
InChIInChI=1S/C16H13N3O2/c17-16(20)11-1-3-13-12(8-11)15(19-18-13)10-2-4-14-9(7-10)5-6-21-14/h1-4,7-8H,5-6H2,(H2,17,20)(H,18,19)
InChIKeyNDHIBPDWTAEUQR-UHFFFAOYSA-N
XLogP2.26
TPSA81.00 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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide (CID 22479895) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide is NC(=O)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide?
The InChIKey is NDHIBPDWTAEUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-16(20)11-1-3-13-12(8-11)15(19-18-13)10-2-4-14-9(7-10)5-6-21-14/h1-4,7-8H,5-6H2,(H2,17,20)(H,18,19).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide?
3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 22479895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).