methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate

C25H25N3O7 — CID 127253150

About methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate

methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate (PubChem CID 127253150) has the molecular formula C25H25N3O7 and a molecular weight of 479.49 g/mol. Its IUPAC name is methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate.

Molecular Properties

• Compound Name: methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate
• PubChem CID: 127253150
• Molecular Formula: C25H25N3O7
• Molecular Weight: 479.49 g/mol
• Exact Mass: 479.17
• IUPAC Name: methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate
• SMILES: COC(=O)CC(c1coc2ccc(OC)cc2c1=O)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O
• InChI: InChI=1S/C25H25N3O7/c1-14-8-20(29)23(25(32)28(14)7-6-15-11-26-13-27-15)17(10-22(30)34-3)19-12-35-21-5-4-16(33-2)9-18(21)24(19)31/h4-5,8-9,11-13,17,29H,6-7,10H2,1-3H3,(H,26,27)
• InChIKey: YFSWWQFQJZJLAM-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 136.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.49
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate?

The IUPAC name of methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate (CID 127253150) is methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate.

What is the SMILES notation for methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate?

The canonical SMILES for methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate is COC(=O)CC(c1coc2ccc(OC)cc2c1=O)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O.

What is the InChIKey of methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate?

The InChIKey is YFSWWQFQJZJLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O7/c1-14-8-20(29)23(25(32)28(14)7-6-15-11-26-13-27-15)17(10-22(30)34-3)19-12-35-21-5-4-16(33-2)9-18(21)24(19)31/h4-5,8-9,11-13,17,29H,6-7,10H2,1-3H3,(H,26,27).

What are the key properties of methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate?

methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate has a molecular weight of 479.49 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate is sourced from PubChem (CID 127253150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).