methyl 5-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C17H15N3O4 — CID 124876542

About methyl 5-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 124876542) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is methyl 5-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
• PubChem CID: 124876542
• Molecular Formula: C17H15N3O4
• Molecular Weight: 325.32 g/mol
• Exact Mass: 325.11
• IUPAC Name: methyl 5-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
• SMILES: COC(=O)c1cn(C[C@@H]2Cc3ccccc3O2)cc2c(=O)[nH]nc1-2
• InChI: InChI=1S/C17H15N3O4/c1-23-17(22)13-9-20(8-12-15(13)18-19-16(12)21)7-11-6-10-4-2-3-5-14(10)24-11/h2-5,8-9,11H,6-7H2,1H3,(H,19,21)/t11-/m0/s1
• InChIKey: GAZOIJUGMLUTGB-NSHDSACASA-N
• XLogP: 1.47
• TPSA: 86.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.32
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?

The IUPAC name of methyl 5-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 124876542) is methyl 5-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

What is the SMILES notation for methyl 5-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?

The canonical SMILES for methyl 5-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(C[C@@H]2Cc3ccccc3O2)cc2c(=O)[nH]nc1-2.

What is the InChIKey of methyl 5-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?

The InChIKey is GAZOIJUGMLUTGB-NSHDSACASA-N. The full InChI is InChI=1S/C17H15N3O4/c1-23-17(22)13-9-20(8-12-15(13)18-19-16(12)21)7-11-6-10-4-2-3-5-14(10)24-11/h2-5,8-9,11H,6-7H2,1H3,(H,19,21)/t11-/m0/s1.

What are the key properties of methyl 5-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?

methyl 5-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 124876542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).