(Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide

C24H24N10 — CID 169238060

About (Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide

(Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide (PubChem CID 169238060) has the molecular formula C24H24N10 and a molecular weight of 452.53 g/mol. Its IUPAC name is (Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide.

Molecular Properties

• Compound Name: (Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide
• PubChem CID: 169238060
• Molecular Formula: C24H24N10
• Molecular Weight: 452.53 g/mol
• Exact Mass: 452.22
• IUPAC Name: (Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide
• SMILES: Cc1c(-c2ccn(C)n2)cn2nc(-c3nccn3C)nc(/N=C(N)/C=C(\N)c3ccccc3)c12
• InChI: InChI=1S/C24H24N10/c1-15-17(19-9-11-33(3)30-19)14-34-21(15)22(29-23(31-34)24-27-10-12-32(24)2)28-20(26)13-18(25)16-7-5-4-6-8-16/h4-14H,25H2,1-3H3,(H2,26,28,29,31)/b18-13-
• InChIKey: OUHZSRWYSITBOG-AQTBWJFISA-N
• XLogP: 2.83
• TPSA: 130.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.53
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide?

The IUPAC name of (Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide (CID 169238060) is (Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide.

What is the SMILES notation for (Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide?

The canonical SMILES for (Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide is Cc1c(-c2ccn(C)n2)cn2nc(-c3nccn3C)nc(/N=C(N)/C=C(\N)c3ccccc3)c12.

What is the InChIKey of (Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide?

The InChIKey is OUHZSRWYSITBOG-AQTBWJFISA-N. The full InChI is InChI=1S/C24H24N10/c1-15-17(19-9-11-33(3)30-19)14-34-21(15)22(29-23(31-34)24-27-10-12-32(24)2)28-20(26)13-18(25)16-7-5-4-6-8-16/h4-14H,25H2,1-3H3,(H2,26,28,29,31)/b18-13-.

What are the key properties of (Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide?

(Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide has a molecular weight of 452.53 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide is sourced from PubChem (CID 169238060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).