7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one

C32H42FN7O3 — CID 68665858

IUPAC7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCOCCN1C(=O)C(C)(C)Oc2cc(-c3ccccc3Nc3ncc(F)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)cnc21
InChIInChI=1S/C32H42FN7O3/c1-30(2)16-21(17-31(3,4)39(30)7)36-26-23(33)19-35-29(38-26)37-24-12-10-9-11-22(24)20-15-25-27(34-18-20)40(13-14-42-8)28(41)32(5,6)43-25/h9-12,15,18-19,21H,13-14,16-17H2,1-8H3,(H2,35,36,37,38)
InChIKeyZEPGMNIOBRHENA-UHFFFAOYSA-N
MW591.73 g/mol
LogP5.64
Rot. Bonds8

About 7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one

7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 68665858) has the molecular formula C32H42FN7O3 and a molecular weight of 591.73 g/mol. Its IUPAC name is 7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID68665858
Molecular FormulaC32H42FN7O3
Molecular Weight591.73 g/mol
Exact Mass591.33
IUPAC Name7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCOCCN1C(=O)C(C)(C)Oc2cc(-c3ccccc3Nc3ncc(F)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)cnc21
InChIInChI=1S/C32H42FN7O3/c1-30(2)16-21(17-31(3,4)39(30)7)36-26-23(33)19-35-29(38-26)37-24-12-10-9-11-22(24)20-15-25-27(34-18-20)40(13-14-42-8)28(41)32(5,6)43-25/h9-12,15,18-19,21H,13-14,16-17H2,1-8H3,(H2,35,36,37,38)
InChIKeyZEPGMNIOBRHENA-UHFFFAOYSA-N
XLogP5.64
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.73
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

7-[2-[[5-fluoro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-1,4-benzoxazin-3-one
CID 68665558
7-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidin-2-yl]amino]-2,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrido[3,2-b][1,4]oxazin-3-one
CID 25175963
3-[2-[[4-(2-methoxyethyl)-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-5-yl]benzamide
CID 68666016
2-N-[3,5-bis(2-methoxyethoxy)phenyl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68664714
4-(2-fluoroethyl)-7-[[5-fluoro-4-phenyl-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
CID 87535208
5-fluoro-2-N-[4-(furan-3-yl)-3-(trifluoromethyl)phenyl]-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68665778
2-N-(6-bromo-2,2-difluoro-1,3-benzodioxol-5-yl)-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 25176279
5-fluoro-2-N-[4-(furan-3-yl)phenyl]-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68664885
1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one
CID 68666420
5-fluoro-2-N-(4-fluoro-3-pyridin-4-ylphenyl)-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 68664781
2-[[4-(2-methoxyethyl)-3-oxopyrido[3,2-b][1,4]oxazin-7-yl]amino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrimidine-5-carbonitrile
CID 25176115
3-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]benzamide
CID 68665074

Frequently Asked Questions

What is the IUPAC name of 7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one (CID 68665858) is 7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one is COCCN1C(=O)C(C)(C)Oc2cc(-c3ccccc3Nc3ncc(F)c(NC4CC(C)(C)N(C)C(C)(C)C4)n3)cnc21.
What is the InChIKey of 7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ZEPGMNIOBRHENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42FN7O3/c1-30(2)16-21(17-31(3,4)39(30)7)36-26-23(33)19-35-29(38-26)37-24-12-10-9-11-22(24)20-15-25-27(34-18-20)40(13-14-42-8)28(41)32(5,6)43-25/h9-12,15,18-19,21H,13-14,16-17H2,1-8H3,(H2,35,36,37,38).
What are the key properties of 7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one?
7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 591.73 g/mol, XLogP of 5.64, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-(2-methoxyethyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 68665858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).