4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propyl]benzonitrile

C22H24N6O — CID 176991424

IUPAC4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propyl]benzonitrile
SMILESCC(Cc1ccc(C#N)cc1)NCC1CNc2cc(-c3cnn(C)c3)cnc2O1
InChIInChI=1S/C22H24N6O/c1-15(7-16-3-5-17(9-23)6-4-16)24-12-20-13-25-21-8-18(10-26-22(21)29-20)19-11-27-28(2)14-19/h3-6,8,10-11,14-15,20,24-25H,7,12-13H2,1-2H3
InChIKeyLJHUVLGAVPNMHE-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.75
Rot. Bonds6

About 4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propyl]benzonitrile

4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propyl]benzonitrile (PubChem CID 176991424) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propyl]benzonitrile
PubChem CID176991424
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propyl]benzonitrile
SMILESCC(Cc1ccc(C#N)cc1)NCC1CNc2cc(-c3cnn(C)c3)cnc2O1
InChIInChI=1S/C22H24N6O/c1-15(7-16-3-5-17(9-23)6-4-16)24-12-20-13-25-21-8-18(10-26-22(21)29-20)19-11-27-28(2)14-19/h3-6,8,10-11,14-15,20,24-25H,7,12-13H2,1-2H3
InChIKeyLJHUVLGAVPNMHE-UHFFFAOYSA-N
XLogP2.75
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propyl]benzonitrile with MolForge

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Related Compounds

3-methyl-4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile
CID 176990843
benzene;3-methoxy-4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile
CID 176991796
(3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 176991107
(3S)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 176991089
benzene;2-[4-[3-[[2-(4-cyanophenyl)ethylamino]methyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]pyrazol-1-yl]-N-methylacetamide
CID 177174729
benzene;4-[2-[[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methylamino]ethyl]benzonitrile
CID 176991579
4-[2-[[7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile
CID 177174626
1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one
CID 176991645
1-methyl-4-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]piperidin-2-one
CID 176991378
4-[2-[[(3R)-7-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile
CID 176990869
benzene;4-[3-[[2-(4-cyanophenyl)ethylamino]methyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]-2-hydroxy-N-propan-2-ylbenzamide
CID 176991794
benzene;4-[2-[[(3R)-7-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]ethyl]benzonitrile
CID 177174836

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propyl]benzonitrile?
The IUPAC name of 4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propyl]benzonitrile (CID 176991424) is 4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propyl]benzonitrile.
What is the SMILES notation for 4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propyl]benzonitrile?
The canonical SMILES for 4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propyl]benzonitrile is CC(Cc1ccc(C#N)cc1)NCC1CNc2cc(-c3cnn(C)c3)cnc2O1.
What is the InChIKey of 4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propyl]benzonitrile?
The InChIKey is LJHUVLGAVPNMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-15(7-16-3-5-17(9-23)6-4-16)24-12-20-13-25-21-8-18(10-26-22(21)29-20)19-11-27-28(2)14-19/h3-6,8,10-11,14-15,20,24-25H,7,12-13H2,1-2H3.
What are the key properties of 4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propyl]benzonitrile?
4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propyl]benzonitrile has a molecular weight of 388.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propyl]benzonitrile is sourced from PubChem (CID 176991424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).