7-[2-(ethoxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one

C20H17F3N4O2 — CID 145453010

IUPAC7-[2-(ethoxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one
SMILESCCOCc1ccccc1-c1cc2c(cn1)C1N=NC=C1C(=O)N2CC(F)(F)F
InChIInChI=1S/C20H17F3N4O2/c1-2-29-10-12-5-3-4-6-13(12)16-7-17-14(8-24-16)18-15(9-25-26-18)19(28)27(17)11-20(21,22)23/h3-9,18H,2,10-11H2,1H3
InChIKeyPUTVSAXMNWVUQI-UHFFFAOYSA-N
MW402.38 g/mol
LogP4.58
Rot. Bonds5

About 7-[2-(ethoxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one

7-[2-(ethoxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one (PubChem CID 145453010) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is 7-[2-(ethoxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one.

Molecular Properties

Compound Name7-[2-(ethoxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one
PubChem CID145453010
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Name7-[2-(ethoxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one
SMILESCCOCc1ccccc1-c1cc2c(cn1)C1N=NC=C1C(=O)N2CC(F)(F)F
InChIInChI=1S/C20H17F3N4O2/c1-2-29-10-12-5-3-4-6-13(12)16-7-17-14(8-24-16)18-15(9-25-26-18)19(28)27(17)11-20(21,22)23/h3-9,18H,2,10-11H2,1H3
InChIKeyPUTVSAXMNWVUQI-UHFFFAOYSA-N
XLogP4.58
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[2-(ethoxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-(ethoxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one?
The IUPAC name of 7-[2-(ethoxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one (CID 145453010) is 7-[2-(ethoxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one.
What is the SMILES notation for 7-[2-(ethoxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one?
The canonical SMILES for 7-[2-(ethoxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one is CCOCc1ccccc1-c1cc2c(cn1)C1N=NC=C1C(=O)N2CC(F)(F)F.
What is the InChIKey of 7-[2-(ethoxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one?
The InChIKey is PUTVSAXMNWVUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c1-2-29-10-12-5-3-4-6-13(12)16-7-17-14(8-24-16)18-15(9-25-26-18)19(28)27(17)11-20(21,22)23/h3-9,18H,2,10-11H2,1H3.
What are the key properties of 7-[2-(ethoxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one?
7-[2-(ethoxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one has a molecular weight of 402.38 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(ethoxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-4-one is sourced from PubChem (CID 145453010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).