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

C17H13F2N5O2 — CID 172525350

IUPAC7-(2,2-difluoroethoxy)-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCn1cc2c(n1)c(=O)n(-c1cccnc1)c1nc(OCC(F)F)ccc21
InChIInChI=1S/C17H13F2N5O2/c1-23-8-12-11-4-5-14(26-9-13(18)19)21-16(11)24(17(25)15(12)22-23)10-3-2-6-20-7-10/h2-8,13H,9H2,1H3
InChIKeyHNLQDASQYZGDJL-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.31
Rot. Bonds4

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

7-(2,2-difluoroethoxy)-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one (PubChem CID 172525350) has the molecular formula C17H13F2N5O2 and a molecular weight of 357.32 g/mol. Its IUPAC name is 7-(2,2-difluoroethoxy)-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name7-(2,2-difluoroethoxy)-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one
PubChem CID172525350
Molecular FormulaC17H13F2N5O2
Molecular Weight357.32 g/mol
Exact Mass357.10
IUPAC Name7-(2,2-difluoroethoxy)-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCn1cc2c(n1)c(=O)n(-c1cccnc1)c1nc(OCC(F)F)ccc21
InChIInChI=1S/C17H13F2N5O2/c1-23-8-12-11-4-5-14(26-9-13(18)19)21-16(11)24(17(25)15(12)22-23)10-3-2-6-20-7-10/h2-8,13H,9H2,1H3
InChIKeyHNLQDASQYZGDJL-UHFFFAOYSA-N
XLogP2.31
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethoxy)-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one?
The IUPAC name of 7-(2,2-difluoroethoxy)-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one (CID 172525350) is 7-(2,2-difluoroethoxy)-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 7-(2,2-difluoroethoxy)-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one?
The canonical SMILES for 7-(2,2-difluoroethoxy)-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one is Cn1cc2c(n1)c(=O)n(-c1cccnc1)c1nc(OCC(F)F)ccc21.
What is the InChIKey of 7-(2,2-difluoroethoxy)-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one?
The InChIKey is HNLQDASQYZGDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O2/c1-23-8-12-11-4-5-14(26-9-13(18)19)21-16(11)24(17(25)15(12)22-23)10-3-2-6-20-7-10/h2-8,13H,9H2,1H3.
What are the key properties of 7-(2,2-difluoroethoxy)-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one?
7-(2,2-difluoroethoxy)-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one has a molecular weight of 357.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethoxy)-2-methyl-5-pyridin-3-ylpyrazolo[3,4-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 172525350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).