7-[2-[ethyl(methyl)amino]-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one

C19H17F3N6O — CID 86298830

IUPAC7-[2-[ethyl(methyl)amino]-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one
SMILESCCN(C)c1ncccc1-c1cc2c(cn1)c1[nH]ncc1c(=O)n2CC(F)(F)F
InChIInChI=1S/C19H17F3N6O/c1-3-27(2)17-11(5-4-6-23-17)14-7-15-12(8-24-14)16-13(9-25-26-16)18(29)28(15)10-19(20,21)22/h4-9H,3,10H2,1-2H3,(H,25,26)
InChIKeyRRNQLUMOONSKAS-UHFFFAOYSA-N
MW402.38 g/mol
LogP3.35
Rot. Bonds4

About 7-[2-[ethyl(methyl)amino]-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one

7-[2-[ethyl(methyl)amino]-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one (PubChem CID 86298830) has the molecular formula C19H17F3N6O and a molecular weight of 402.38 g/mol. Its IUPAC name is 7-[2-[ethyl(methyl)amino]-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one.

Molecular Properties

Compound Name7-[2-[ethyl(methyl)amino]-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one
PubChem CID86298830
Molecular FormulaC19H17F3N6O
Molecular Weight402.38 g/mol
Exact Mass402.14
IUPAC Name7-[2-[ethyl(methyl)amino]-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one
SMILESCCN(C)c1ncccc1-c1cc2c(cn1)c1[nH]ncc1c(=O)n2CC(F)(F)F
InChIInChI=1S/C19H17F3N6O/c1-3-27(2)17-11(5-4-6-23-17)14-7-15-12(8-24-14)16-13(9-25-26-16)18(29)28(15)10-19(20,21)22/h4-9H,3,10H2,1-2H3,(H,25,26)
InChIKeyRRNQLUMOONSKAS-UHFFFAOYSA-N
XLogP3.35
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 7-[2-[ethyl(methyl)amino]-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-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-[ethyl(methyl)amino]-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one?
The IUPAC name of 7-[2-[ethyl(methyl)amino]-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one (CID 86298830) is 7-[2-[ethyl(methyl)amino]-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one.
What is the SMILES notation for 7-[2-[ethyl(methyl)amino]-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one?
The canonical SMILES for 7-[2-[ethyl(methyl)amino]-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one is CCN(C)c1ncccc1-c1cc2c(cn1)c1[nH]ncc1c(=O)n2CC(F)(F)F.
What is the InChIKey of 7-[2-[ethyl(methyl)amino]-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one?
The InChIKey is RRNQLUMOONSKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O/c1-3-27(2)17-11(5-4-6-23-17)14-7-15-12(8-24-14)16-13(9-25-26-16)18(29)28(15)10-19(20,21)22/h4-9H,3,10H2,1-2H3,(H,25,26).
What are the key properties of 7-[2-[ethyl(methyl)amino]-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one?
7-[2-[ethyl(methyl)amino]-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one has a molecular weight of 402.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[ethyl(methyl)amino]-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one is sourced from PubChem (CID 86298830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).