2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one

C22H13F3N6O — CID 71112303

IUPAC2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESNc1ncc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C22H13F3N6O/c23-22(24,25)14-2-1-3-15(8-14)31-18(32)7-4-12-9-27-17-6-5-16(30-19(17)20(12)31)13-10-28-21(26)29-11-13/h1-11H,(H2,26,28,29)
InChIKeyYLQPULWHRZZBIB-UHFFFAOYSA-N
MW434.38 g/mol
LogP3.99
Rot. Bonds2

About 2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one

2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one (PubChem CID 71112303) has the molecular formula C22H13F3N6O and a molecular weight of 434.38 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one.

Molecular Properties

Compound Name2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
PubChem CID71112303
Molecular FormulaC22H13F3N6O
Molecular Weight434.38 g/mol
Exact Mass434.11
IUPAC Name2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESNc1ncc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C22H13F3N6O/c23-22(24,25)14-2-1-3-15(8-14)31-18(32)7-4-12-9-27-17-6-5-16(30-19(17)20(12)31)13-10-28-21(26)29-11-13/h1-11H,(H2,26,28,29)
InChIKeyYLQPULWHRZZBIB-UHFFFAOYSA-N
XLogP3.99
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The IUPAC name of 2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one (CID 71112303) is 2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one.
What is the SMILES notation for 2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The canonical SMILES for 2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one is Nc1ncc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.
What is the InChIKey of 2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The InChIKey is YLQPULWHRZZBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F3N6O/c23-22(24,25)14-2-1-3-15(8-14)31-18(32)7-4-12-9-27-17-6-5-16(30-19(17)20(12)31)13-10-28-21(26)29-11-13/h1-11H,(H2,26,28,29).
What are the key properties of 2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one has a molecular weight of 434.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one is sourced from PubChem (CID 71112303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).