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

C16H15N5O4 — CID 121240626

IUPACmethyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(CCC(=O)Nc2cccnc2)cc2c(=O)[nH]nc1-2
InChIInChI=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)
InChIKeyJPOKHGITSZCBPQ-UHFFFAOYSA-N
MW341.33 g/mol
LogP0.89
Rot. Bonds5

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 Namemethyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID121240626
Molecular FormulaC16H15N5O4
Molecular Weight341.33 g/mol
Exact Mass341.11
IUPAC Namemethyl 3-oxo-5-[3-oxo-3-(pyridin-3-ylamino)propyl]-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(CCC(=O)Nc2cccnc2)cc2c(=O)[nH]nc1-2
InChIInChI=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)
InChIKeyJPOKHGITSZCBPQ-UHFFFAOYSA-N
XLogP0.89
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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).