N-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-6-(4-fluoro-2-methylphenyl)-3-methyl-4H-pyrimidine-2-carboxamide

C22H21F2N5O3 — CID 156842914

IUPACN-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-6-(4-fluoro-2-methylphenyl)-3-methyl-4H-pyrimidine-2-carboxamide
SMILESCc1cc(F)ccc1C1=CCN(C)C(C(=O)NC2COc3cc(F)cnc3N(C)C2=O)=N1
InChIInChI=1S/C22H21F2N5O3/c1-12-8-13(23)4-5-15(12)16-6-7-28(2)20(26-16)21(30)27-17-11-32-18-9-14(24)10-25-19(18)29(3)22(17)31/h4-6,8-10,17H,7,11H2,1-3H3,(H,27,30)
InChIKeyFGXKYCMKDOMRIS-UHFFFAOYSA-N
MW441.44 g/mol
LogP1.89
Rot. Bonds3

About N-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-6-(4-fluoro-2-methylphenyl)-3-methyl-4H-pyrimidine-2-carboxamide

N-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-6-(4-fluoro-2-methylphenyl)-3-methyl-4H-pyrimidine-2-carboxamide (PubChem CID 156842914) has the molecular formula C22H21F2N5O3 and a molecular weight of 441.44 g/mol. Its IUPAC name is N-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-6-(4-fluoro-2-methylphenyl)-3-methyl-4H-pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-6-(4-fluoro-2-methylphenyl)-3-methyl-4H-pyrimidine-2-carboxamide
PubChem CID156842914
Molecular FormulaC22H21F2N5O3
Molecular Weight441.44 g/mol
Exact Mass441.16
IUPAC NameN-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-6-(4-fluoro-2-methylphenyl)-3-methyl-4H-pyrimidine-2-carboxamide
SMILESCc1cc(F)ccc1C1=CCN(C)C(C(=O)NC2COc3cc(F)cnc3N(C)C2=O)=N1
InChIInChI=1S/C22H21F2N5O3/c1-12-8-13(23)4-5-15(12)16-6-7-28(2)20(26-16)21(30)27-17-11-32-18-9-14(24)10-25-19(18)29(3)22(17)31/h4-6,8-10,17H,7,11H2,1-3H3,(H,27,30)
InChIKeyFGXKYCMKDOMRIS-UHFFFAOYSA-N
XLogP1.89
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-6-(4-fluoro-2-methylphenyl)-3-methyl-4H-pyrimidine-2-carboxamide with MolForge

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Related Compounds

5-fluoro-N-[(3S)-8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(4-fluorophenyl)pyrimidine-2-carboxamide
CID 156842886
5-chloro-N-[(3S)-8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-fluoro-4-methylphenyl)pyrimidine-2-carboxamide
CID 156842721
N-[(3S)-8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-5-methyl-4-(oxan-4-yl)pyrimidine-2-carboxamide
CID 156842931
5-chloro-N-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-4-(3-fluoro-4-methylphenyl)pyrimidine-2-carboxamide
CID 156843131
5-chloro-N-(8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-4-(2,4-difluorophenyl)pyrimidine-2-carboxamide
CID 156843117
5-chloro-N-(8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-4-(2,5-difluorophenyl)pyrimidine-2-carboxamide
CID 156843082
N-(8-bromo-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-methyl-4-phenylpyrimidine-2-carboxamide
CID 156843129
4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide
CID 156842806
(7-fluoro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)carbamic acid
CID 90345137
5-fluoro-1-[(4-fluorophenyl)methyl]-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrazole-3-carboxamide
CID 130299292
5-chloro-N-[(3S)-8-chloro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-4-(2-chlorophenyl)pyrimidine-2-carboxamide
CID 156842586
4-(4-fluorophenyl)-N-[(3S)-8-isocyano-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-methylpyrimidine-2-carboxamide
CID 168751248

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-6-(4-fluoro-2-methylphenyl)-3-methyl-4H-pyrimidine-2-carboxamide?
The IUPAC name of N-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-6-(4-fluoro-2-methylphenyl)-3-methyl-4H-pyrimidine-2-carboxamide (CID 156842914) is N-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-6-(4-fluoro-2-methylphenyl)-3-methyl-4H-pyrimidine-2-carboxamide.
What is the SMILES notation for N-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-6-(4-fluoro-2-methylphenyl)-3-methyl-4H-pyrimidine-2-carboxamide?
The canonical SMILES for N-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-6-(4-fluoro-2-methylphenyl)-3-methyl-4H-pyrimidine-2-carboxamide is Cc1cc(F)ccc1C1=CCN(C)C(C(=O)NC2COc3cc(F)cnc3N(C)C2=O)=N1.
What is the InChIKey of N-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-6-(4-fluoro-2-methylphenyl)-3-methyl-4H-pyrimidine-2-carboxamide?
The InChIKey is FGXKYCMKDOMRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O3/c1-12-8-13(23)4-5-15(12)16-6-7-28(2)20(26-16)21(30)27-17-11-32-18-9-14(24)10-25-19(18)29(3)22(17)31/h4-6,8-10,17H,7,11H2,1-3H3,(H,27,30).
What are the key properties of N-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-6-(4-fluoro-2-methylphenyl)-3-methyl-4H-pyrimidine-2-carboxamide?
N-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-6-(4-fluoro-2-methylphenyl)-3-methyl-4H-pyrimidine-2-carboxamide has a molecular weight of 441.44 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-6-(4-fluoro-2-methylphenyl)-3-methyl-4H-pyrimidine-2-carboxamide is sourced from PubChem (CID 156842914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).