2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one

C24H16F3N5O — CID 135267110

IUPAC2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESCNc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C24H16F3N5O/c1-28-20-9-5-14(12-30-20)18-7-8-19-22(31-18)23-15(13-29-19)6-10-21(33)32(23)17-4-2-3-16(11-17)24(25,26)27/h2-13H,1H3,(H,28,30)
InChIKeyDEZDJJLWCCDWOF-UHFFFAOYSA-N
MW447.42 g/mol
LogP5.06
Rot. Bonds3

About 2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one

2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one (PubChem CID 135267110) has the molecular formula C24H16F3N5O and a molecular weight of 447.42 g/mol. Its IUPAC name is 2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one.

Molecular Properties

Compound Name2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
PubChem CID135267110
Molecular FormulaC24H16F3N5O
Molecular Weight447.42 g/mol
Exact Mass447.13
IUPAC Name2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESCNc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1
InChIInChI=1S/C24H16F3N5O/c1-28-20-9-5-14(12-30-20)18-7-8-19-22(31-18)23-15(13-29-19)6-10-21(33)32(23)17-4-2-3-16(11-17)24(25,26)27/h2-13H,1H3,(H,28,30)
InChIKeyDEZDJJLWCCDWOF-UHFFFAOYSA-N
XLogP5.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.42
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(6-amino-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
CID 71112281
2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
CID 71112303
2-(1,3-thiazol-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
CID 71112670
10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
CID 151378917
9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 51358113
9-[4-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 155249694
9-(6-isocyano-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 140686185
9-(2-oxo-1,3-dihydroinden-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 164965689
N-[5-[9-oxo-10-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrido[3,2-h][1,5]naphthyridin-2-yl]-2-pyridinyl]acetamide
CID 71112973
disodium;[9-(6-methyl-3-pyridinyl)-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridin-3-yl]methyl phosphate
CID 86304665
9-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 73438427
9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 58525099

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The IUPAC name of 2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one (CID 135267110) is 2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one.
What is the SMILES notation for 2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The canonical SMILES for 2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one is CNc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.
What is the InChIKey of 2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The InChIKey is DEZDJJLWCCDWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O/c1-28-20-9-5-14(12-30-20)18-7-8-19-22(31-18)23-15(13-29-19)6-10-21(33)32(23)17-4-2-3-16(11-17)24(25,26)27/h2-13H,1H3,(H,28,30).
What are the key properties of 2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one has a molecular weight of 447.42 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one is sourced from PubChem (CID 135267110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).