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

C19H17N3O2 — CID 20789080

IUPAC3-(1-benzofuran-2-yl)-N-propan-2-yl-1H-indazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C19H17N3O2/c1-11(2)20-19(23)13-7-8-15-14(9-13)18(22-21-15)17-10-12-5-3-4-6-16(12)24-17/h3-11H,1-2H3,(H,20,23)(H,21,22)
InChIKeyUKTKQOQTYBTQHE-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.11
Rot. Bonds3

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

3-(1-benzofuran-2-yl)-N-propan-2-yl-1H-indazole-5-carboxamide (PubChem CID 20789080) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-propan-2-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-propan-2-yl-1H-indazole-5-carboxamide
PubChem CID20789080
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-(1-benzofuran-2-yl)-N-propan-2-yl-1H-indazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C19H17N3O2/c1-11(2)20-19(23)13-7-8-15-14(9-13)18(22-21-15)17-10-12-5-3-4-6-16(12)24-17/h3-11H,1-2H3,(H,20,23)(H,21,22)
InChIKeyUKTKQOQTYBTQHE-UHFFFAOYSA-N
XLogP4.11
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-propan-2-yl-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-propan-2-yl-1H-indazole-5-carboxamide (CID 20789080) is 3-(1-benzofuran-2-yl)-N-propan-2-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-propan-2-yl-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-propan-2-yl-1H-indazole-5-carboxamide is CC(C)NC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-propan-2-yl-1H-indazole-5-carboxamide?
The InChIKey is UKTKQOQTYBTQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-11(2)20-19(23)13-7-8-15-14(9-13)18(22-21-15)17-10-12-5-3-4-6-16(12)24-17/h3-11H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-(1-benzofuran-2-yl)-N-propan-2-yl-1H-indazole-5-carboxamide?
3-(1-benzofuran-2-yl)-N-propan-2-yl-1H-indazole-5-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-propan-2-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 20789080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).