6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

C22H26N8O4 — CID 126601072

IUPAC6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(=O)n(CCN3CCC(NCc4cnc5c(n4)NC(=O)CO5)CC3)c2n1
InChIInChI=1S/C22H26N8O4/c1-33-18-3-2-16-21(28-18)30(19(32)12-24-16)9-8-29-6-4-14(5-7-29)23-10-15-11-25-22-20(26-15)27-17(31)13-34-22/h2-3,11-12,14,23H,4-10,13H2,1H3,(H,26,27,31)
InChIKeyIGPOLJCTKOPERQ-UHFFFAOYSA-N
MW466.50 g/mol
LogP0.18
Rot. Bonds7

About 6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one

6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (PubChem CID 126601072) has the molecular formula C22H26N8O4 and a molecular weight of 466.50 g/mol. Its IUPAC name is 6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
PubChem CID126601072
Molecular FormulaC22H26N8O4
Molecular Weight466.50 g/mol
Exact Mass466.21
IUPAC Name6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one
SMILESCOc1ccc2ncc(=O)n(CCN3CCC(NCc4cnc5c(n4)NC(=O)CO5)CC3)c2n1
InChIInChI=1S/C22H26N8O4/c1-33-18-3-2-16-21(28-18)30(19(32)12-24-16)9-8-29-6-4-14(5-7-29)23-10-15-11-25-22-20(26-15)27-17(31)13-34-22/h2-3,11-12,14,23H,4-10,13H2,1H3,(H,26,27,31)
InChIKeyIGPOLJCTKOPERQ-UHFFFAOYSA-N
XLogP0.18
TPSA136.39 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.50
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one with MolForge

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Related Compounds

4-[2-[4-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one;dihydrochloride
CID 68995440
5-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile
CID 90644107
(E)-but-2-enedioic acid;5-[2-[4-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-ylmethylamino)piperidin-1-yl]ethyl]-3-methoxypyrido[2,3-b]pyrazin-6-one
CID 25032631
6-[[[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 59398425
2-[3-[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]pyrrolidin-3-yl]propyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 159551725
6-[[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]pyrrolidin-3-yl]methylamino]methyl]-4H-pyrazino[2,3-b][1,4]thiazin-3-one
CID 126601090
8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypteridin-7-one
CID 25024304
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl-[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]carbamic acid
CID 68809502
6-[[[(3R,4S)-3-hydroxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
CID 25008766
6-[[[(3S,4R)-3-fluoro-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90644115
6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90264238
6-[(4R)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90264365

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one (CID 126601072) is 6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is COc1ccc2ncc(=O)n(CCN3CCC(NCc4cnc5c(n4)NC(=O)CO5)CC3)c2n1.
What is the InChIKey of 6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
The InChIKey is IGPOLJCTKOPERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O4/c1-33-18-3-2-16-21(28-18)30(19(32)12-24-16)9-8-29-6-4-14(5-7-29)23-10-15-11-25-22-20(26-15)27-17(31)13-34-22/h2-3,11-12,14,23H,4-10,13H2,1H3,(H,26,27,31).
What are the key properties of 6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one?
6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one has a molecular weight of 466.50 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrazino[2,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 126601072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).