6-[[5-fluoro-2-[[6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

C24H25FN8O4 — CID 53475948

IUPAC6-[[5-fluoro-2-[[6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(C)[C@@H]1COC(=O)N1c1ccc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cn1
InChIInChI=1S/C24H25FN8O4/c1-12(2)15-11-36-23(35)33(15)18-8-5-13(9-26-18)28-22-27-10-14(25)19(32-22)29-17-7-6-16-20(30-17)31-21(34)24(3,4)37-16/h5-10,12,15H,11H2,1-4H3,(H3,27,28,29,30,31,32,34)/t15-/m0/s1
InChIKeyZUIAFMJMJDQTAJ-HNNXBMFYSA-N
MW508.51 g/mol
LogP3.98
Rot. Bonds6

About 6-[[5-fluoro-2-[[6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[[5-fluoro-2-[[6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 53475948) has the molecular formula C24H25FN8O4 and a molecular weight of 508.51 g/mol. Its IUPAC name is 6-[[5-fluoro-2-[[6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[[5-fluoro-2-[[6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID53475948
Molecular FormulaC24H25FN8O4
Molecular Weight508.51 g/mol
Exact Mass508.20
IUPAC Name6-[[5-fluoro-2-[[6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(C)[C@@H]1COC(=O)N1c1ccc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cn1
InChIInChI=1S/C24H25FN8O4/c1-12(2)15-11-36-23(35)33(15)18-8-5-13(9-26-18)28-22-27-10-14(25)19(32-22)29-17-7-6-16-20(30-17)31-21(34)24(3,4)37-16/h5-10,12,15H,11H2,1-4H3,(H3,27,28,29,30,31,32,34)/t15-/m0/s1
InChIKeyZUIAFMJMJDQTAJ-HNNXBMFYSA-N
XLogP3.98
TPSA143.49 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.51
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[[5-fluoro-2-[[6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-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-[[5-fluoro-2-[[6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[[5-fluoro-2-[[6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 53475948) is 6-[[5-fluoro-2-[[6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[[5-fluoro-2-[[6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[[5-fluoro-2-[[6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is CC(C)[C@@H]1COC(=O)N1c1ccc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cn1.
What is the InChIKey of 6-[[5-fluoro-2-[[6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ZUIAFMJMJDQTAJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H25FN8O4/c1-12(2)15-11-36-23(35)33(15)18-8-5-13(9-26-18)28-22-27-10-14(25)19(32-22)29-17-7-6-16-20(30-17)31-21(34)24(3,4)37-16/h5-10,12,15H,11H2,1-4H3,(H3,27,28,29,30,31,32,34)/t15-/m0/s1.
What are the key properties of 6-[[5-fluoro-2-[[6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[[5-fluoro-2-[[6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 508.51 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-fluoro-2-[[6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 53475948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).