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

C24H15F3N4O2 — CID 71112300

IUPAC2-[6-(hydroxymethyl)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESO=c1ccc2cnc3ccc(-c4ccc(CO)nc4)nc3c2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H15F3N4O2/c25-24(26,27)16-2-1-3-18(10-16)31-21(33)9-5-15-12-29-20-8-7-19(30-22(20)23(15)31)14-4-6-17(13-32)28-11-14/h1-12,32H,13H2
InChIKeyQJCKUPULSGLVOU-UHFFFAOYSA-N
MW448.40 g/mol
LogP4.51
Rot. Bonds3

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

2-[6-(hydroxymethyl)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one (PubChem CID 71112300) has the molecular formula C24H15F3N4O2 and a molecular weight of 448.40 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
PubChem CID71112300
Molecular FormulaC24H15F3N4O2
Molecular Weight448.40 g/mol
Exact Mass448.11
IUPAC Name2-[6-(hydroxymethyl)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
SMILESO=c1ccc2cnc3ccc(-c4ccc(CO)nc4)nc3c2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H15F3N4O2/c25-24(26,27)16-2-1-3-18(10-16)31-21(33)9-5-15-12-29-20-8-7-19(30-22(20)23(15)31)14-4-6-17(13-32)28-11-14/h1-12,32H,13H2
InChIKeyQJCKUPULSGLVOU-UHFFFAOYSA-N
XLogP4.51
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 54.51
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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Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The IUPAC name of 2-[6-(hydroxymethyl)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one (CID 71112300) is 2-[6-(hydroxymethyl)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one.
What is the SMILES notation for 2-[6-(hydroxymethyl)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The canonical SMILES for 2-[6-(hydroxymethyl)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one is O=c1ccc2cnc3ccc(-c4ccc(CO)nc4)nc3c2n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[6-(hydroxymethyl)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
The InChIKey is QJCKUPULSGLVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4O2/c25-24(26,27)16-2-1-3-18(10-16)31-21(33)9-5-15-12-29-20-8-7-19(30-22(20)23(15)31)14-4-6-17(13-32)28-11-14/h1-12,32H,13H2.
What are the key properties of 2-[6-(hydroxymethyl)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one?
2-[6-(hydroxymethyl)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one has a molecular weight of 448.40 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-3-pyridinyl]-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one is sourced from PubChem (CID 71112300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).