5-ethoxy-1-[(4-fluoro-2-pyridinyl)methyl]-2-[(4-fluoro-2-pyridinyl)methylamino]-7-methyl-1,6-naphthyridin-4-one

C23H21F2N5O2 — CID 20791039

IUPAC5-ethoxy-1-[(4-fluoro-2-pyridinyl)methyl]-2-[(4-fluoro-2-pyridinyl)methylamino]-7-methyl-1,6-naphthyridin-4-one
SMILESCCOc1nc(C)cc2c1c(=O)cc(NCc1cc(F)ccn1)n2Cc1cc(F)ccn1
InChIInChI=1S/C23H21F2N5O2/c1-3-32-23-22-19(8-14(2)29-23)30(13-18-10-16(25)5-7-27-18)21(11-20(22)31)28-12-17-9-15(24)4-6-26-17/h4-11,28H,3,12-13H2,1-2H3
InChIKeyXOPFXZXAMQIYKY-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.83
Rot. Bonds7

About 5-ethoxy-1-[(4-fluoro-2-pyridinyl)methyl]-2-[(4-fluoro-2-pyridinyl)methylamino]-7-methyl-1,6-naphthyridin-4-one

5-ethoxy-1-[(4-fluoro-2-pyridinyl)methyl]-2-[(4-fluoro-2-pyridinyl)methylamino]-7-methyl-1,6-naphthyridin-4-one (PubChem CID 20791039) has the molecular formula C23H21F2N5O2 and a molecular weight of 437.45 g/mol. Its IUPAC name is 5-ethoxy-1-[(4-fluoro-2-pyridinyl)methyl]-2-[(4-fluoro-2-pyridinyl)methylamino]-7-methyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name5-ethoxy-1-[(4-fluoro-2-pyridinyl)methyl]-2-[(4-fluoro-2-pyridinyl)methylamino]-7-methyl-1,6-naphthyridin-4-one
PubChem CID20791039
Molecular FormulaC23H21F2N5O2
Molecular Weight437.45 g/mol
Exact Mass437.17
IUPAC Name5-ethoxy-1-[(4-fluoro-2-pyridinyl)methyl]-2-[(4-fluoro-2-pyridinyl)methylamino]-7-methyl-1,6-naphthyridin-4-one
SMILESCCOc1nc(C)cc2c1c(=O)cc(NCc1cc(F)ccn1)n2Cc1cc(F)ccn1
InChIInChI=1S/C23H21F2N5O2/c1-3-32-23-22-19(8-14(2)29-23)30(13-18-10-16(25)5-7-27-18)21(11-20(22)31)28-12-17-9-15(24)4-6-26-17/h4-11,28H,3,12-13H2,1-2H3
InChIKeyXOPFXZXAMQIYKY-UHFFFAOYSA-N
XLogP3.83
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-[(4-fluoro-2-pyridinyl)methyl]-2-[(4-fluoro-2-pyridinyl)methylamino]-7-methyl-1,6-naphthyridin-4-one?
The IUPAC name of 5-ethoxy-1-[(4-fluoro-2-pyridinyl)methyl]-2-[(4-fluoro-2-pyridinyl)methylamino]-7-methyl-1,6-naphthyridin-4-one (CID 20791039) is 5-ethoxy-1-[(4-fluoro-2-pyridinyl)methyl]-2-[(4-fluoro-2-pyridinyl)methylamino]-7-methyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 5-ethoxy-1-[(4-fluoro-2-pyridinyl)methyl]-2-[(4-fluoro-2-pyridinyl)methylamino]-7-methyl-1,6-naphthyridin-4-one?
The canonical SMILES for 5-ethoxy-1-[(4-fluoro-2-pyridinyl)methyl]-2-[(4-fluoro-2-pyridinyl)methylamino]-7-methyl-1,6-naphthyridin-4-one is CCOc1nc(C)cc2c1c(=O)cc(NCc1cc(F)ccn1)n2Cc1cc(F)ccn1.
What is the InChIKey of 5-ethoxy-1-[(4-fluoro-2-pyridinyl)methyl]-2-[(4-fluoro-2-pyridinyl)methylamino]-7-methyl-1,6-naphthyridin-4-one?
The InChIKey is XOPFXZXAMQIYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O2/c1-3-32-23-22-19(8-14(2)29-23)30(13-18-10-16(25)5-7-27-18)21(11-20(22)31)28-12-17-9-15(24)4-6-26-17/h4-11,28H,3,12-13H2,1-2H3.
What are the key properties of 5-ethoxy-1-[(4-fluoro-2-pyridinyl)methyl]-2-[(4-fluoro-2-pyridinyl)methylamino]-7-methyl-1,6-naphthyridin-4-one?
5-ethoxy-1-[(4-fluoro-2-pyridinyl)methyl]-2-[(4-fluoro-2-pyridinyl)methylamino]-7-methyl-1,6-naphthyridin-4-one has a molecular weight of 437.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-[(4-fluoro-2-pyridinyl)methyl]-2-[(4-fluoro-2-pyridinyl)methylamino]-7-methyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 20791039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).