7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine

C21H17F4N3O — CID 21137465

IUPAC7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine
SMILESCOc1nccc2c1Nc1ccc(F)cc1C2(CCc1ccccn1)C(F)(F)F
InChIInChI=1S/C21H17F4N3O/c1-29-19-18-15(8-11-27-19)20(21(23,24)25,9-7-14-4-2-3-10-26-14)16-12-13(22)5-6-17(16)28-18/h2-6,8,10-12,28H,7,9H2,1H3
InChIKeyLFFDFNBEWIVCGE-UHFFFAOYSA-N
MW403.38 g/mol
LogP5.16
Rot. Bonds4

About 7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine

7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine (PubChem CID 21137465) has the molecular formula C21H17F4N3O and a molecular weight of 403.38 g/mol. Its IUPAC name is 7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine.

Molecular Properties

Compound Name7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine
PubChem CID21137465
Molecular FormulaC21H17F4N3O
Molecular Weight403.38 g/mol
Exact Mass403.13
IUPAC Name7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine
SMILESCOc1nccc2c1Nc1ccc(F)cc1C2(CCc1ccccn1)C(F)(F)F
InChIInChI=1S/C21H17F4N3O/c1-29-19-18-15(8-11-27-19)20(21(23,24)25,9-7-14-4-2-3-10-26-14)16-12-13(22)5-6-17(16)28-18/h2-6,8,10-12,28H,7,9H2,1H3
InChIKeyLFFDFNBEWIVCGE-UHFFFAOYSA-N
XLogP5.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.38
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine with MolForge

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Related Compounds

US10155760, Example 204
CID 118429935
N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]methanesulfonamide
CID 59859961
US10155760, Example 223
CID 118419831
US10155760, Example 131
CID 118419835
US10155760, Example 219
CID 118419919
US10155760, Example 226
CID 118419920
US10155760, Example 218
CID 118420197
US10155760, Example 195
CID 118420447
US10155760, Example 129
CID 118421399
US10155760, Example 118
CID 118429808
US10155760, Example 145
CID 118429817
US10155760, Example 205
CID 118429934

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine?
The IUPAC name of 7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine (CID 21137465) is 7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine.
What is the SMILES notation for 7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine?
The canonical SMILES for 7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine is COc1nccc2c1Nc1ccc(F)cc1C2(CCc1ccccn1)C(F)(F)F.
What is the InChIKey of 7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine?
The InChIKey is LFFDFNBEWIVCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N3O/c1-29-19-18-15(8-11-27-19)20(21(23,24)25,9-7-14-4-2-3-10-26-14)16-12-13(22)5-6-17(16)28-18/h2-6,8,10-12,28H,7,9H2,1H3.
What are the key properties of 7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine?
7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine has a molecular weight of 403.38 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methoxy-5-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)-10H-benzo[b][1,7]naphthyridine is sourced from PubChem (CID 21137465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).