7-ethoxy-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one

C17H15N5O2 — CID 172525390

IUPAC7-ethoxy-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCCOc1ccc2c3cn(C)nc3c(=O)n(-c3cccnc3)c2n1
InChIInChI=1S/C17H15N5O2/c1-3-24-14-7-6-12-13-10-21(2)20-15(13)17(23)22(16(12)19-14)11-5-4-8-18-9-11/h4-10H,3H2,1-2H3
InChIKeyZKROYCBROSDTSF-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.07
Rot. Bonds3

About 7-ethoxy-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one

7-ethoxy-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one (PubChem CID 172525390) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 7-ethoxy-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name7-ethoxy-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one
PubChem CID172525390
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name7-ethoxy-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCCOc1ccc2c3cn(C)nc3c(=O)n(-c3cccnc3)c2n1
InChIInChI=1S/C17H15N5O2/c1-3-24-14-7-6-12-13-10-21(2)20-15(13)17(23)22(16(12)19-14)11-5-4-8-18-9-11/h4-10H,3H2,1-2H3
InChIKeyZKROYCBROSDTSF-UHFFFAOYSA-N
XLogP2.07
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one?
The IUPAC name of 7-ethoxy-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one (CID 172525390) is 7-ethoxy-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 7-ethoxy-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one?
The canonical SMILES for 7-ethoxy-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one is CCOc1ccc2c3cn(C)nc3c(=O)n(-c3cccnc3)c2n1.
What is the InChIKey of 7-ethoxy-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one?
The InChIKey is ZKROYCBROSDTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-3-24-14-7-6-12-13-10-21(2)20-15(13)17(23)22(16(12)19-14)11-5-4-8-18-9-11/h4-10H,3H2,1-2H3.
What are the key properties of 7-ethoxy-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one?
7-ethoxy-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one has a molecular weight of 321.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 172525390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).