methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C16H15N5O4 — CID 121240626

About methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 121240626) has the molecular formula C16H15N5O4 and a molecular weight of 341.33 g/mol. Its IUPAC name is methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
• PubChem CID: 121240626
• Molecular Formula: C16H15N5O4
• Molecular Weight: 341.33 g/mol
• Exact Mass: 341.11
• IUPAC Name: methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
• SMILES: COC(=O)c1cn(CCC(=O)Nc2cccnc2)cc2c(=O)[nH]nc1-2
• InChI: InChI=1S/C16H15N5O4/c1-25-16(24)12-9-21(8-11-14(12)19-20-15(11)23)6-4-13(22)18-10-3-2-5-17-7-10/h2-3,5,7-9H,4,6H2,1H3,(H,18,22)(H,20,23)
• InChIKey: JPOKHGITSZCBPQ-UHFFFAOYSA-N
• XLogP: 0.89
• TPSA: 118.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.33
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?

The IUPAC name of methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 121240626) is methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

What is the SMILES notation for methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?

The canonical SMILES for methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(CCC(=O)Nc2cccnc2)cc2c(=O)[nH]nc1-2.

What is the InChIKey of methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?

The InChIKey is JPOKHGITSZCBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4/c1-25-16(24)12-9-21(8-11-14(12)19-20-15(11)23)6-4-13(22)18-10-3-2-5-17-7-10/h2-3,5,7-9H,4,6H2,1H3,(H,18,22)(H,20,23).

What are the key properties of methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?

methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 341.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 121240626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).