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

C27H32N6O5 — CID 122187103

IUPAC6-[[[1-[2-[2-oxo-7-[(3S)-oxolan-3-yl]oxy-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(O[C@H]6CCOC6)cc54)CC3)nc2N1
InChIInChI=1S/C27H32N6O5/c34-25-17-37-24-3-1-19(30-27(24)31-25)14-28-18-5-8-32(9-6-18)10-11-33-23-13-21(38-20-7-12-36-16-20)15-29-22(23)2-4-26(33)35/h1-4,13,15,18,20,28H,5-12,14,16-17H2,(H,30,31,34)/t20-/m0/s1
InChIKeyWAVHAGZFFINPKM-FQEVSTJZSA-N
MW520.59 g/mol
LogP1.54
Rot. Bonds8

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

6-[[[1-[2-[2-oxo-7-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 122187103) has the molecular formula C27H32N6O5 and a molecular weight of 520.59 g/mol. Its IUPAC name is 6-[[[1-[2-[2-oxo-7-[(3S)-oxolan-3-yl]oxy-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-[2-oxo-7-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID122187103
Molecular FormulaC27H32N6O5
Molecular Weight520.59 g/mol
Exact Mass520.24
IUPAC Name6-[[[1-[2-[2-oxo-7-[(3S)-oxolan-3-yl]oxy-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(O[C@H]6CCOC6)cc54)CC3)nc2N1
InChIInChI=1S/C27H32N6O5/c34-25-17-37-24-3-1-19(30-27(24)31-25)14-28-18-5-8-32(9-6-18)10-11-33-23-13-21(38-20-7-12-36-16-20)15-29-22(23)2-4-26(33)35/h1-4,13,15,18,20,28H,5-12,14,16-17H2,(H,30,31,34)/t20-/m0/s1
InChIKeyWAVHAGZFFINPKM-FQEVSTJZSA-N
XLogP1.54
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[[[1-[2-[2-oxo-7-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-1-yl]ethyl]piperidin-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-[2-oxo-7-[(3S)-oxolan-3-yl]oxy-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-[2-oxo-7-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 122187103) is 6-[[[1-[2-[2-oxo-7-[(3S)-oxolan-3-yl]oxy-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-[2-oxo-7-[(3S)-oxolan-3-yl]oxy-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-[2-oxo-7-[(3S)-oxolan-3-yl]oxy-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(O[C@H]6CCOC6)cc54)CC3)nc2N1.
What is the InChIKey of 6-[[[1-[2-[2-oxo-7-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is WAVHAGZFFINPKM-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H32N6O5/c34-25-17-37-24-3-1-19(30-27(24)31-25)14-28-18-5-8-32(9-6-18)10-11-33-23-13-21(38-20-7-12-36-16-20)15-29-22(23)2-4-26(33)35/h1-4,13,15,18,20,28H,5-12,14,16-17H2,(H,30,31,34)/t20-/m0/s1.
What are the key properties of 6-[[[1-[2-[2-oxo-7-[(3S)-oxolan-3-yl]oxy-1,5-naphthyridin-1-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[[1-[2-[2-oxo-7-[(3S)-oxolan-3-yl]oxy-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 520.59 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-[2-oxo-7-[(3S)-oxolan-3-yl]oxy-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 122187103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).