6-[[[1-[2-(2-oxo-7-pyrimidin-5-yloxy-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C27H28N8O4 — CID 122187097

IUPAC6-[[[1-[2-(2-oxo-7-pyrimidin-5-yloxy-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC3CCN(CCn4c(=O)ccc5ccc(Oc6cncnc6)nc54)CC3)nc2N1
InChIInChI=1S/C27H28N8O4/c36-23-16-38-22-4-3-20(31-26(22)32-23)13-30-19-7-9-34(10-8-19)11-12-35-25(37)6-2-18-1-5-24(33-27(18)35)39-21-14-28-17-29-15-21/h1-6,14-15,17,19,30H,7-13,16H2,(H,31,32,36)
InChIKeyVVKPYCRUFDVEOY-UHFFFAOYSA-N
MW528.57 g/mol
LogP1.96
Rot. Bonds8

About 6-[[[1-[2-(2-oxo-7-pyrimidin-5-yloxy-1,8-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-pyrimidin-5-yloxy-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 122187097) has the molecular formula C27H28N8O4 and a molecular weight of 528.57 g/mol. Its IUPAC name is 6-[[[1-[2-(2-oxo-7-pyrimidin-5-yloxy-1,8-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-pyrimidin-5-yloxy-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID122187097
Molecular FormulaC27H28N8O4
Molecular Weight528.57 g/mol
Exact Mass528.22
IUPAC Name6-[[[1-[2-(2-oxo-7-pyrimidin-5-yloxy-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(CNC3CCN(CCn4c(=O)ccc5ccc(Oc6cncnc6)nc54)CC3)nc2N1
InChIInChI=1S/C27H28N8O4/c36-23-16-38-22-4-3-20(31-26(22)32-23)13-30-19-7-9-34(10-8-19)11-12-35-25(37)6-2-18-1-5-24(33-27(18)35)39-21-14-28-17-29-15-21/h1-6,14-15,17,19,30H,7-13,16H2,(H,31,32,36)
InChIKeyVVKPYCRUFDVEOY-UHFFFAOYSA-N
XLogP1.96
TPSA136.39 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.57
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-[[[1-[2-(2-oxo-7-pyrimidin-5-yloxy-1,8-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-pyrimidin-5-yloxy-1,8-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-pyrimidin-5-yloxy-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 122187097) is 6-[[[1-[2-(2-oxo-7-pyrimidin-5-yloxy-1,8-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-pyrimidin-5-yloxy-1,8-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-pyrimidin-5-yloxy-1,8-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)ccc5ccc(Oc6cncnc6)nc54)CC3)nc2N1.
What is the InChIKey of 6-[[[1-[2-(2-oxo-7-pyrimidin-5-yloxy-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is VVKPYCRUFDVEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O4/c36-23-16-38-22-4-3-20(31-26(22)32-23)13-30-19-7-9-34(10-8-19)11-12-35-25(37)6-2-18-1-5-24(33-27(18)35)39-21-14-28-17-29-15-21/h1-6,14-15,17,19,30H,7-13,16H2,(H,31,32,36).
What are the key properties of 6-[[[1-[2-(2-oxo-7-pyrimidin-5-yloxy-1,8-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-pyrimidin-5-yloxy-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 528.57 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-(2-oxo-7-pyrimidin-5-yloxy-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 122187097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).