(E)-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-4-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine

C20H24N8S — CID 143464839

About (E)-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-4-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine

(E)-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-4-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine (PubChem CID 143464839) has the molecular formula C20H24N8S and a molecular weight of 408.54 g/mol. Its IUPAC name is (E)-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-4-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine.

Molecular Properties

• Compound Name: (E)-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-4-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine
• PubChem CID: 143464839
• Molecular Formula: C20H24N8S
• Molecular Weight: 408.54 g/mol
• Exact Mass: 408.18
• IUPAC Name: (E)-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-4-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine
• SMILES: Cc1cc(/N=C2/NC(C3CCNCC3)=CN3C(c4cnn(C)c4)=CCN=C23)sn1
• InChI: InChI=1S/C20H24N8S/c1-13-9-18(29-26-13)25-19-20-22-8-5-17(15-10-23-27(2)11-15)28(20)12-16(24-19)14-3-6-21-7-4-14/h5,9-12,14,21H,3-4,6-8H2,1-2H3,(H,24,25)
• InChIKey: SKMRBSUUZQAGAJ-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 82.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.54
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-4-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine?

The IUPAC name of (E)-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-4-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine (CID 143464839) is (E)-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-4-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine.

What is the SMILES notation for (E)-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-4-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine?

The canonical SMILES for (E)-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-4-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine is Cc1cc(/N=C2/NC(C3CCNCC3)=CN3C(c4cnn(C)c4)=CCN=C23)sn1.

What is the InChIKey of (E)-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-4-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine?

The InChIKey is SKMRBSUUZQAGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8S/c1-13-9-18(29-26-13)25-19-20-22-8-5-17(15-10-23-27(2)11-15)28(20)12-16(24-19)14-3-6-21-7-4-14/h5,9-12,14,21H,3-4,6-8H2,1-2H3,(H,24,25).

What are the key properties of (E)-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-4-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine?

(E)-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-4-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine has a molecular weight of 408.54 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-4-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-7-piperidin-4-yl-2,8-dihydropyrazino[1,2-a]pyrimidin-9-imine is sourced from PubChem (CID 143464839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).