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

C23H20F2N4O2 — CID 71113874

IUPAC2-[2-fluoro-5-(fluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCOCCOc1cnccc1Nc1cc(-c2cc(CF)ccc2F)nc2ncccc12
InChIInChI=1S/C23H20F2N4O2/c1-30-9-10-31-22-14-26-8-6-19(22)28-20-12-21(29-23-16(20)3-2-7-27-23)17-11-15(13-24)4-5-18(17)25/h2-8,11-12,14H,9-10,13H2,1H3,(H,26,27,28,29)
InChIKeyBMJKCAGAIBHRJS-UHFFFAOYSA-N
MW422.44 g/mol
LogP5.07
Rot. Bonds8

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

2-[2-fluoro-5-(fluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine (PubChem CID 71113874) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-[2-fluoro-5-(fluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name2-[2-fluoro-5-(fluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
PubChem CID71113874
Molecular FormulaC23H20F2N4O2
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name2-[2-fluoro-5-(fluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCOCCOc1cnccc1Nc1cc(-c2cc(CF)ccc2F)nc2ncccc12
InChIInChI=1S/C23H20F2N4O2/c1-30-9-10-31-22-14-26-8-6-19(22)28-20-12-21(29-23-16(20)3-2-7-27-23)17-11-15(13-24)4-5-18(17)25/h2-8,11-12,14H,9-10,13H2,1H3,(H,26,27,28,29)
InChIKeyBMJKCAGAIBHRJS-UHFFFAOYSA-N
XLogP5.07
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 55.07
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-(fluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The IUPAC name of 2-[2-fluoro-5-(fluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine (CID 71113874) is 2-[2-fluoro-5-(fluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 2-[2-fluoro-5-(fluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 2-[2-fluoro-5-(fluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine is COCCOc1cnccc1Nc1cc(-c2cc(CF)ccc2F)nc2ncccc12.
What is the InChIKey of 2-[2-fluoro-5-(fluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The InChIKey is BMJKCAGAIBHRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2/c1-30-9-10-31-22-14-26-8-6-19(22)28-20-12-21(29-23-16(20)3-2-7-27-23)17-11-15(13-24)4-5-18(17)25/h2-8,11-12,14H,9-10,13H2,1H3,(H,26,27,28,29).
What are the key properties of 2-[2-fluoro-5-(fluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
2-[2-fluoro-5-(fluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine has a molecular weight of 422.44 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(fluoromethyl)phenyl]-N-[3-(2-methoxyethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 71113874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).