6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C30H35FN6O4 — CID 71153155

IUPAC6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESNCC1(COc2ccc3ncc(F)c(CCC45CCC(NCc6ccc7c(n6)NC(=O)CO7)(CC4)CO5)c3n2)CC1
InChIInChI=1S/C30H35FN6O4/c31-21-14-33-22-2-4-25(40-17-28(16-32)7-8-28)37-26(22)20(21)5-6-30-11-9-29(10-12-30,18-41-30)34-13-19-1-3-23-27(35-19)36-24(38)15-39-23/h1-4,14,34H,5-13,15-18,32H2,(H,35,36,38)
InChIKeyDZQFDSBQRPUTFZ-UHFFFAOYSA-N
MW562.65 g/mol
LogP3.42
Rot. Bonds10

About 6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 71153155) has the molecular formula C30H35FN6O4 and a molecular weight of 562.65 g/mol. Its IUPAC name is 6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID71153155
Molecular FormulaC30H35FN6O4
Molecular Weight562.65 g/mol
Exact Mass562.27
IUPAC Name6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESNCC1(COc2ccc3ncc(F)c(CCC45CCC(NCc6ccc7c(n6)NC(=O)CO7)(CC4)CO5)c3n2)CC1
InChIInChI=1S/C30H35FN6O4/c31-21-14-33-22-2-4-25(40-17-28(16-32)7-8-28)37-26(22)20(21)5-6-30-11-9-29(10-12-30,18-41-30)34-13-19-1-3-23-27(35-19)36-24(38)15-39-23/h1-4,14,34H,5-13,15-18,32H2,(H,35,36,38)
InChIKeyDZQFDSBQRPUTFZ-UHFFFAOYSA-N
XLogP3.42
TPSA133.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.65
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 71153155) is 6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is NCC1(COc2ccc3ncc(F)c(CCC45CCC(NCc6ccc7c(n6)NC(=O)CO7)(CC4)CO5)c3n2)CC1.
What is the InChIKey of 6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is DZQFDSBQRPUTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6O4/c31-21-14-33-22-2-4-25(40-17-28(16-32)7-8-28)37-26(22)20(21)5-6-30-11-9-29(10-12-30,18-41-30)34-13-19-1-3-23-27(35-19)36-24(38)15-39-23/h1-4,14,34H,5-13,15-18,32H2,(H,35,36,38).
What are the key properties of 6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 562.65 g/mol, XLogP of 3.42, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-[6-[[1-(aminomethyl)cyclopropyl]methoxy]-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 71153155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).