8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;ethane;(Z)-1-(3-fluoro-1-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine

About 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;ethane;(Z)-1-(3-fluoro-1-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine

8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;ethane;(Z)-1-(3-fluoro-1-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine (PubChem CID 168962704) has the molecular formula C29H39FN8O2 and a molecular weight of 550.68 g/mol. Its IUPAC name is 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;ethane;(Z)-1-(3-fluoro-1-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine.

Molecular Properties

Compound Name	8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;ethane;(Z)-1-(3-fluoro-1-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine
PubChem CID	168962704
Molecular Formula	C29H39FN8O2
Molecular Weight	550.68 g/mol
Exact Mass	550.32
IUPAC Name	8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;ethane;(Z)-1-(3-fluoro-1-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine
SMILES	CC.CN(c1c(C#N)c(=O)n(C)c2ccc(C#N)nc12)C1CCCCC1.Cn1nc(F)cc1/C=N\OC(C)(C)C
InChI	InChI=1S/C18H19N5O.C9H14FN3O.C2H6/c1-22(13-6-4-3-5-7-13)17-14(11-20)18(24)23(2)15-9-8-12(10-19)21-16(15)17;1-9(2,3)14-11-6-7-5-8(10)12-13(7)4;1-2/h8-9,13H,3-7H2,1-2H3;5-6H,1-4H3;1-2H3/b;11-6-;
InChIKey	CBRDZPCCSVWNPL-QDRXIZIFSA-N
XLogP	5.18
TPSA	125.12 Å²
H-Bond Donors
H-Bond Acceptors	10
Rotatable Bonds	4
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.68
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;ethane;(Z)-1-(3-fluoro-1-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine?

The IUPAC name of 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;ethane;(Z)-1-(3-fluoro-1-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine (CID 168962704) is 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;ethane;(Z)-1-(3-fluoro-1-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine.

What is the SMILES notation for 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;ethane;(Z)-1-(3-fluoro-1-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine?

The canonical SMILES for 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;ethane;(Z)-1-(3-fluoro-1-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine is CC.CN(c1c(C#N)c(=O)n(C)c2ccc(C#N)nc12)C1CCCCC1.Cn1nc(F)cc1/C=N\OC(C)(C)C.

What is the InChIKey of 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;ethane;(Z)-1-(3-fluoro-1-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine?

The InChIKey is CBRDZPCCSVWNPL-QDRXIZIFSA-N. The full InChI is InChI=1S/C18H19N5O.C9H14FN3O.C2H6/c1-22(13-6-4-3-5-7-13)17-14(11-20)18(24)23(2)15-9-8-12(10-19)21-16(15)17;1-9(2,3)14-11-6-7-5-8(10)12-13(7)4;1-2/h8-9,13H,3-7H2,1-2H3;5-6H,1-4H3;1-2H3/b;11-6-;.

What are the key properties of 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;ethane;(Z)-1-(3-fluoro-1-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine?

8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;ethane;(Z)-1-(3-fluoro-1-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine has a molecular weight of 550.68 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[cyclohexyl(methyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile;ethane;(Z)-1-(3-fluoro-1-methylpyrazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanimine is sourced from PubChem (CID 168962704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).