8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one

C25H28FN5O4 — CID 25074006

IUPAC8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one
SMILESO=C1COc2ccc(CNC3CCN(CC4CCN5C(=O)COc6ccc(F)c4c65)CC3)nc2N1
InChIInChI=1S/C25H28FN5O4/c26-18-2-4-19-24-23(18)15(5-10-31(24)22(33)14-35-19)12-30-8-6-16(7-9-30)27-11-17-1-3-20-25(28-17)29-21(32)13-34-20/h1-4,15-16,27H,5-14H2,(H,28,29,32)
InChIKeyWMGVZTCPPISSCK-UHFFFAOYSA-N
MW481.53 g/mol
LogP2.02
Rot. Bonds5

About 8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one

8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one (PubChem CID 25074006) has the molecular formula C25H28FN5O4 and a molecular weight of 481.53 g/mol. Its IUPAC name is 8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one.

Molecular Properties

Compound Name8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one
PubChem CID25074006
Molecular FormulaC25H28FN5O4
Molecular Weight481.53 g/mol
Exact Mass481.21
IUPAC Name8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one
SMILESO=C1COc2ccc(CNC3CCN(CC4CCN5C(=O)COc6ccc(F)c4c65)CC3)nc2N1
InChIInChI=1S/C25H28FN5O4/c26-18-2-4-19-24-23(18)15(5-10-31(24)22(33)14-35-19)12-30-8-6-16(7-9-30)27-11-17-1-3-20-25(28-17)29-21(32)13-34-20/h1-4,15-16,27H,5-14H2,(H,28,29,32)
InChIKeyWMGVZTCPPISSCK-UHFFFAOYSA-N
XLogP2.02
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
1-(3-oxo-4H-1,4-benzoxazin-8-yl)-3-[[6-(trifluoromethyl)-2-[4-tritio-4-(tritiomethyl)piperidin-1-yl]-3-pyridinyl]methyl]urea
CID 137648895
1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea
CID 137654340
6-[({1-[2-(6-Acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15981895
6-[({1-[2-(7-Methoxy-2-oxo-2H-3,1-benzoxazin-1(4H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15982151
2-oxo-1-[2-[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]ethyl]quinoline-7-carbonitrile
CID 15983305
6-[[[1-[2-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 15983430
6-[({1-[2-(6-Methoxy-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15983550
6-[({1-[2-(6-Fluoro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15983553
3-Oxo-4-[2-(4-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}piperidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile
CID 15983679
6-{[(1-{2-[3-Oxo-6-(trifluoromethoxy)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethyl}piperidin-4-yl)amino]methyl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
CID 15983680
1-[2-((3R,4R)-3-methoxy-4-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)methyl]amino}piperidin-1-yl)ethyl]-2-oxo-1,2-dihydroquinoline-7-carbonitrile
CID 25008941

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one?
The IUPAC name of 8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one (CID 25074006) is 8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one.
What is the SMILES notation for 8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one?
The canonical SMILES for 8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one is O=C1COc2ccc(CNC3CCN(CC4CCN5C(=O)COc6ccc(F)c4c65)CC3)nc2N1.
What is the InChIKey of 8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one?
The InChIKey is WMGVZTCPPISSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O4/c26-18-2-4-19-24-23(18)15(5-10-31(24)22(33)14-35-19)12-30-8-6-16(7-9-30)27-11-17-1-3-20-25(28-17)29-21(32)13-34-20/h1-4,15-16,27H,5-14H2,(H,28,29,32).
What are the key properties of 8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one?
8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one has a molecular weight of 481.53 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-10-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]piperidin-1-yl]methyl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one is sourced from PubChem (CID 25074006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).