2-[[2-ethyl-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C25H24FN7S2 — CID 126690027

About 2-[[2-ethyl-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-ethyl-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 126690027) has the molecular formula C25H24FN7S2 and a molecular weight of 505.65 g/mol. Its IUPAC name is 2-[[2-ethyl-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2-ethyl-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 126690027
• Molecular Formula: C25H24FN7S2
• Molecular Weight: 505.65 g/mol
• Exact Mass: 505.15
• IUPAC Name: 2-[[2-ethyl-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nc2cnc(C3=CCN(SC)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C25H24FN7S2/c1-4-19-24(31(2)25-30-23(21(13-27)35-25)17-5-7-18(26)8-6-17)33-15-20(28-14-22(33)29-19)16-9-11-32(34-3)12-10-16/h5-9,14-15H,4,10-12H2,1-3H3
• InChIKey: UURFJFDMPYYWHS-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 73.35 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.65
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[2-ethyl-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 126690027) is 2-[[2-ethyl-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[2-ethyl-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[2-ethyl-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2cnc(C3=CCN(SC)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[[2-ethyl-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is UURFJFDMPYYWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7S2/c1-4-19-24(31(2)25-30-23(21(13-27)35-25)17-5-7-18(26)8-6-17)33-15-20(28-14-22(33)29-19)16-9-11-32(34-3)12-10-16/h5-9,14-15H,4,10-12H2,1-3H3.

What are the key properties of 2-[[2-ethyl-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[[2-ethyl-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 505.65 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-ethyl-6-(1-methylsulfanyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 126690027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).