6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C28H28FN7O4 — CID 122187101

IUPAC6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC3CCN(CCn4c(=O)ccc5ncc(Oc6cncc(F)c6)cc54)CC3)nc2N1
InChIInChI=1S/C28H28FN7O4/c29-18-11-21(15-30-13-18)40-22-12-24-23(32-16-22)2-4-27(38)36(24)10-9-35-7-5-19(6-8-35)31-14-20-1-3-25-28(33-20)34-26(37)17-39-25/h1-4,11-13,15-16,19,31H,5-10,14,17H2,(H,33,34,37)
InChIKeyPVMNTCQETHBFBK-UHFFFAOYSA-N
MW545.58 g/mol
LogP2.70
Rot. Bonds8

About 6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 122187101) has the molecular formula C28H28FN7O4 and a molecular weight of 545.58 g/mol. Its IUPAC name is 6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID122187101
Molecular FormulaC28H28FN7O4
Molecular Weight545.58 g/mol
Exact Mass545.22
IUPAC Name6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC3CCN(CCn4c(=O)ccc5ncc(Oc6cncc(F)c6)cc54)CC3)nc2N1
InChIInChI=1S/C28H28FN7O4/c29-18-11-21(15-30-13-18)40-22-12-24-23(32-16-22)2-4-27(38)36(24)10-9-35-7-5-19(6-8-35)31-14-20-1-3-25-28(33-20)34-26(37)17-39-25/h1-4,11-13,15-16,19,31H,5-10,14,17H2,(H,33,34,37)
InChIKeyPVMNTCQETHBFBK-UHFFFAOYSA-N
XLogP2.70
TPSA123.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.58
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 122187101) is 6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(CNC3CCN(CCn4c(=O)ccc5ncc(Oc6cncc(F)c6)cc54)CC3)nc2N1.
What is the InChIKey of 6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is PVMNTCQETHBFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN7O4/c29-18-11-21(15-30-13-18)40-22-12-24-23(32-16-22)2-4-27(38)36(24)10-9-35-7-5-19(6-8-35)31-14-20-1-3-25-28(33-20)34-26(37)17-39-25/h1-4,11-13,15-16,19,31H,5-10,14,17H2,(H,33,34,37).
What are the key properties of 6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 545.58 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-[7-[(5-fluoro-3-pyridinyl)oxy]-2-oxo-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 122187101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).