3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

C25H25FN6O — CID 169228462

IUPAC3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CC=C(c4cnc5c(NC)nccc5c4)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C25H25FN6O/c1-3-15-11-20-23(31-25(15)33)21(26)19(13-29-20)14-32-8-5-16(6-9-32)18-10-17-4-7-28-24(27-2)22(17)30-12-18/h4-5,7,10-13H,3,6,8-9,14H2,1-2H3,(H,27,28)(H,31,33)
InChIKeyJYRSAEFLNSIJBG-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.90
Rot. Bonds5

About 3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one

3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (PubChem CID 169228462) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is 3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
PubChem CID169228462
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CC=C(c4cnc5c(NC)nccc5c4)CC3)c(F)c2[nH]c1=O
InChIInChI=1S/C25H25FN6O/c1-3-15-11-20-23(31-25(15)33)21(26)19(13-29-20)14-32-8-5-16(6-9-32)18-10-17-4-7-28-24(27-2)22(17)30-12-18/h4-5,7,10-13H,3,6,8-9,14H2,1-2H3,(H,27,28)(H,31,33)
InChIKeyJYRSAEFLNSIJBG-UHFFFAOYSA-N
XLogP3.90
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The IUPAC name of 3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one (CID 169228462) is 3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is CCc1cc2ncc(CN3CC=C(c4cnc5c(NC)nccc5c4)CC3)c(F)c2[nH]c1=O.
What is the InChIKey of 3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
The InChIKey is JYRSAEFLNSIJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-3-15-11-20-23(31-25(15)33)21(26)19(13-29-20)14-32-8-5-16(6-9-32)18-10-17-4-7-28-24(27-2)22(17)30-12-18/h4-5,7,10-13H,3,6,8-9,14H2,1-2H3,(H,27,28)(H,31,33).
What are the key properties of 3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one?
3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one has a molecular weight of 444.51 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-fluoro-7-[[4-[8-(methylamino)-1,7-naphthyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 169228462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).