methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate

C15H17N3O6 — CID 124850033

About methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate

methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 124850033) has the molecular formula C15H17N3O6 and a molecular weight of 335.32 g/mol. Its IUPAC name is methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate
• PubChem CID: 124850033
• Molecular Formula: C15H17N3O6
• Molecular Weight: 335.32 g/mol
• Exact Mass: 335.11
• IUPAC Name: methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate
• SMILES: COC(=O)C[C@H](c1c(O)c(C(=O)OC)c[nH]c1=O)c1ccnn1C
• InChI: InChI=1S/C15H17N3O6/c1-18-10(4-5-17-18)8(6-11(19)23-2)12-13(20)9(15(22)24-3)7-16-14(12)21/h4-5,7-8H,6H2,1-3H3,(H2,16,20,21)/t8-/m0/s1
• InChIKey: PXGICCMOOPXCRZ-QMMMGPOBSA-N
• XLogP: 0.30
• TPSA: 123.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.32
LogP ≤ 5	0.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate?

The IUPAC name of methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate (CID 124850033) is methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate.

What is the SMILES notation for methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate?

The canonical SMILES for methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate is COC(=O)C[C@H](c1c(O)c(C(=O)OC)c[nH]c1=O)c1ccnn1C.

What is the InChIKey of methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate?

The InChIKey is PXGICCMOOPXCRZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H17N3O6/c1-18-10(4-5-17-18)8(6-11(19)23-2)12-13(20)9(15(22)24-3)7-16-14(12)21/h4-5,7-8H,6H2,1-3H3,(H2,16,20,21)/t8-/m0/s1.

What are the key properties of methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate?

methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 335.32 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-hydroxy-5-[(1R)-3-methoxy-1-(2-methylpyrazol-3-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 124850033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).