1-[4-[[5-fluoro-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone

C25H27FN6O — CID 11583155

IUPAC1-[4-[[5-fluoro-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ncc(F)c(N3CCCc4cnc(-c5ccccc5)cc43)n2)CC1
InChIInChI=1S/C25H27FN6O/c1-17(33)31-12-9-20(10-13-31)29-25-28-16-21(26)24(30-25)32-11-5-8-19-15-27-22(14-23(19)32)18-6-3-2-4-7-18/h2-4,6-7,14-16,20H,5,8-13H2,1H3,(H,28,29,30)
InChIKeyPUIAZDALRSCJJR-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.18
Rot. Bonds4

About 1-[4-[[5-fluoro-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone

1-[4-[[5-fluoro-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone (PubChem CID 11583155) has the molecular formula C25H27FN6O and a molecular weight of 446.53 g/mol. Its IUPAC name is 1-[4-[[5-fluoro-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-fluoro-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
PubChem CID11583155
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC Name1-[4-[[5-fluoro-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ncc(F)c(N3CCCc4cnc(-c5ccccc5)cc43)n2)CC1
InChIInChI=1S/C25H27FN6O/c1-17(33)31-12-9-20(10-13-31)29-25-28-16-21(26)24(30-25)32-11-5-8-19-15-27-22(14-23(19)32)18-6-3-2-4-7-18/h2-4,6-7,14-16,20H,5,8-13H2,1H3,(H,28,29,30)
InChIKeyPUIAZDALRSCJJR-UHFFFAOYSA-N
XLogP4.18
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-fluoro-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[5-fluoro-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone (CID 11583155) is 1-[4-[[5-fluoro-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[5-fluoro-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[5-fluoro-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2ncc(F)c(N3CCCc4cnc(-c5ccccc5)cc43)n2)CC1.
What is the InChIKey of 1-[4-[[5-fluoro-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is PUIAZDALRSCJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O/c1-17(33)31-12-9-20(10-13-31)29-25-28-16-21(26)24(30-25)32-11-5-8-19-15-27-22(14-23(19)32)18-6-3-2-4-7-18/h2-4,6-7,14-16,20H,5,8-13H2,1H3,(H,28,29,30).
What are the key properties of 1-[4-[[5-fluoro-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[5-fluoro-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 446.53 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-fluoro-4-(7-phenyl-3,4-dihydro-2H-1,6-naphthyridin-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 11583155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).