(E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(pyrrolidin-3-ylmethyl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine

C19H24N8S — CID 143460948

About (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(pyrrolidin-3-ylmethyl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine

(E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(pyrrolidin-3-ylmethyl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine (PubChem CID 143460948) has the molecular formula C19H24N8S and a molecular weight of 396.52 g/mol. Its IUPAC name is (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(pyrrolidin-3-ylmethyl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine.

Molecular Properties

• Compound Name: (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(pyrrolidin-3-ylmethyl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine
• PubChem CID: 143460948
• Molecular Formula: C19H24N8S
• Molecular Weight: 396.52 g/mol
• Exact Mass: 396.18
• IUPAC Name: (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(pyrrolidin-3-ylmethyl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine
• SMILES: Cc1cc(/N=C2/NC(CC3CCNC3)=CN3C(c4cnn(C)c4)=CNC23)sn1
• InChI: InChI=1S/C19H24N8S/c1-12-5-17(28-25-12)24-18-19-21-9-16(14-8-22-26(2)10-14)27(19)11-15(23-18)6-13-3-4-20-7-13/h5,8-11,13,19-21H,3-4,6-7H2,1-2H3,(H,23,24)
• InChIKey: KMXUVXFWRBXVDL-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 82.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.52
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	3
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)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(pyrrolidin-3-ylmethyl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine?

The IUPAC name of (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(pyrrolidin-3-ylmethyl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine (CID 143460948) is (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(pyrrolidin-3-ylmethyl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine.

What is the SMILES notation for (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(pyrrolidin-3-ylmethyl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine?

The canonical SMILES for (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(pyrrolidin-3-ylmethyl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine is Cc1cc(/N=C2/NC(CC3CCNC3)=CN3C(c4cnn(C)c4)=CNC23)sn1.

What is the InChIKey of (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(pyrrolidin-3-ylmethyl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine?

The InChIKey is KMXUVXFWRBXVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8S/c1-12-5-17(28-25-12)24-18-19-21-9-16(14-8-22-26(2)10-14)27(19)11-15(23-18)6-13-3-4-20-7-13/h5,8-11,13,19-21H,3-4,6-7H2,1-2H3,(H,23,24).

What are the key properties of (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(pyrrolidin-3-ylmethyl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine?

(E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(pyrrolidin-3-ylmethyl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine has a molecular weight of 396.52 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(1-methylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)-6-(pyrrolidin-3-ylmethyl)-7,8a-dihydro-1H-imidazo[1,2-a]pyrazin-8-imine is sourced from PubChem (CID 143460948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).