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

C15H20N4O3 — CID 124878924

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

methyl 5-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 124878924) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 5-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
• PubChem CID: 124878924
• Molecular Formula: C15H20N4O3
• Molecular Weight: 304.35 g/mol
• Exact Mass: 304.15
• IUPAC Name: methyl 5-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
• SMILES: CCN1CCC[C@H]1Cn1cc(C(=O)OC)c2n[nH]c(=O)c-2c1
• InChI: InChI=1S/C15H20N4O3/c1-3-19-6-4-5-10(19)7-18-8-11-13(16-17-14(11)20)12(9-18)15(21)22-2/h8-10H,3-7H2,1-2H3,(H,17,20)/t10-/m0/s1
• InChIKey: OGUCOWUCVNPPRM-JTQLQIEISA-N
• XLogP: 0.95
• TPSA: 80.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.35
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of methyl 5-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 124878924) is methyl 5-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

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

The canonical SMILES for methyl 5-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is CCN1CCC[C@H]1Cn1cc(C(=O)OC)c2n[nH]c(=O)c-2c1.

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

The InChIKey is OGUCOWUCVNPPRM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N4O3/c1-3-19-6-4-5-10(19)7-18-8-11-13(16-17-14(11)20)12(9-18)15(21)22-2/h8-10H,3-7H2,1-2H3,(H,17,20)/t10-/m0/s1.

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

methyl 5-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 124878924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).