2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine

C23H18F4N4O2 — CID 53371931

IUPAC2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCOCCOc1cnccc1Nc1cc(-c2cc(C(F)(F)F)ccc2F)nc2ncccc12
InChIInChI=1S/C23H18F4N4O2/c1-32-9-10-33-21-13-28-8-6-18(21)30-19-12-20(31-22-15(19)3-2-7-29-22)16-11-14(23(25,26)27)4-5-17(16)24/h2-8,11-13H,9-10H2,1H3,(H,28,29,30,31)
InChIKeyDATJCUPGCHSKEW-UHFFFAOYSA-N
MW458.42 g/mol
LogP5.62
Rot. Bonds7

About 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine

2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine (PubChem CID 53371931) has the molecular formula C23H18F4N4O2 and a molecular weight of 458.42 g/mol. Its IUPAC name is 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
PubChem CID53371931
Molecular FormulaC23H18F4N4O2
Molecular Weight458.42 g/mol
Exact Mass458.14
IUPAC Name2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCOCCOc1cnccc1Nc1cc(-c2cc(C(F)(F)F)ccc2F)nc2ncccc12
InChIInChI=1S/C23H18F4N4O2/c1-32-9-10-33-21-13-28-8-6-18(21)30-19-12-20(31-22-15(19)3-2-7-29-22)16-11-14(23(25,26)27)4-5-17(16)24/h2-8,11-13H,9-10H2,1H3,(H,28,29,30,31)
InChIKeyDATJCUPGCHSKEW-UHFFFAOYSA-N
XLogP5.62
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.42
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine (CID 53371931) is 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine is COCCOc1cnccc1Nc1cc(-c2cc(C(F)(F)F)ccc2F)nc2ncccc12.
What is the InChIKey of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The InChIKey is DATJCUPGCHSKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O2/c1-32-9-10-33-21-13-28-8-6-18(21)30-19-12-20(31-22-15(19)3-2-7-29-22)16-11-14(23(25,26)27)4-5-17(16)24/h2-8,11-13H,9-10H2,1H3,(H,28,29,30,31).
What are the key properties of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine has a molecular weight of 458.42 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 53371931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).