methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate

C18H26N4O4 — CID 136844122

About methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate

methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate (PubChem CID 136844122) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate.

Molecular Properties

• Compound Name: methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate
• PubChem CID: 136844122
• Molecular Formula: C18H26N4O4
• Molecular Weight: 362.43 g/mol
• Exact Mass: 362.20
• IUPAC Name: methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate
• SMILES: COC(=O)C(NC(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O)C(C)C
• InChI: InChI=1S/C18H26N4O4/c1-9(2)15(18(25)26-6)19-13(23)8-7-12-10(3)14-11(4)21-22(5)16(14)20-17(12)24/h9,15H,7-8H2,1-6H3,(H,19,23)(H,20,24)
• InChIKey: JKTYCPKXUSGUGP-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 106.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.43
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate?

The IUPAC name of methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate (CID 136844122) is methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate.

What is the SMILES notation for methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate?

The canonical SMILES for methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate is COC(=O)C(NC(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O)C(C)C.

What is the InChIKey of methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate?

The InChIKey is JKTYCPKXUSGUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-9(2)15(18(25)26-6)19-13(23)8-7-12-10(3)14-11(4)21-22(5)16(14)20-17(12)24/h9,15H,7-8H2,1-6H3,(H,19,23)(H,20,24).

What are the key properties of methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate?

methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate has a molecular weight of 362.43 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-methyl-2-[3-(1,3,4-trimethyl-6-oxo-7H-pyrazolo[5,4-b]pyridin-5-yl)propanoylamino]butanoate is sourced from PubChem (CID 136844122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).