N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide

C20H21N3O3 — CID 9268869

About N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide

N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 9268869) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide
• PubChem CID: 9268869
• Molecular Formula: C20H21N3O3
• Molecular Weight: 351.41 g/mol
• Exact Mass: 351.16
• IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide
• SMILES: CCOc1cc2c(cc1CNC(=O)c1n[nH]c3ccccc13)O[C@@H](C)C2
• InChI: InChI=1S/C20H21N3O3/c1-3-25-17-9-13-8-12(2)26-18(13)10-14(17)11-21-20(24)19-15-6-4-5-7-16(15)22-23-19/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,21,24)(H,22,23)/t12-/m0/s1
• InChIKey: IDBZJZHFRNWZEJ-LBPRGKRZSA-N
• XLogP: 3.21
• TPSA: 76.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.41
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide (CID 9268869) is N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide is CCOc1cc2c(cc1CNC(=O)c1n[nH]c3ccccc13)O[C@@H](C)C2.

What is the InChIKey of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide?

The InChIKey is IDBZJZHFRNWZEJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-25-17-9-13-8-12(2)26-18(13)10-14(17)11-21-20(24)19-15-6-4-5-7-16(15)22-23-19/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,21,24)(H,22,23)/t12-/m0/s1.

What are the key properties of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide?

N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 9268869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).