4-[[[(1E,3E)-1-amino-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-4-(methylamino)buta-1,3-dienyl]amino]methyl]-3,5-dimethylbenzenecarboximidamide

C26H34N8 — CID 165131127

About 4-[[[(1E,3E)-1-amino-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-4-(methylamino)buta-1,3-dienyl]amino]methyl]-3,5-dimethylbenzenecarboximidamide

4-[[[(1E,3E)-1-amino-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-4-(methylamino)buta-1,3-dienyl]amino]methyl]-3,5-dimethylbenzenecarboximidamide (PubChem CID 165131127) has the molecular formula C26H34N8 and a molecular weight of 458.61 g/mol. Its IUPAC name is 4-[[[(1E,3E)-1-amino-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-4-(methylamino)buta-1,3-dienyl]amino]methyl]-3,5-dimethylbenzenecarboximidamide.

Molecular Properties

• Compound Name: 4-[[[(1E,3E)-1-amino-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-4-(methylamino)buta-1,3-dienyl]amino]methyl]-3,5-dimethylbenzenecarboximidamide
• PubChem CID: 165131127
• Molecular Formula: C26H34N8
• Molecular Weight: 458.61 g/mol
• Exact Mass: 458.29
• IUPAC Name: 4-[[[(1E,3E)-1-amino-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-4-(methylamino)buta-1,3-dienyl]amino]methyl]-3,5-dimethylbenzenecarboximidamide
• SMILES: [H]/N=C(\N)c1cc(C)c(CN/C(N)=C/C(=C\NC)NCc2cn3cc(C4CC4)ccc3n2)c(C)c1
• InChI: InChI=1S/C26H34N8/c1-16-8-20(26(28)29)9-17(2)23(16)13-32-24(27)10-21(11-30-3)31-12-22-15-34-14-19(18-4-5-18)6-7-25(34)33-22/h6-11,14-15,18,30-32H,4-5,12-13,27H2,1-3H3,(H3,28,29)/b21-11+,24-10+
• InChIKey: UVTBLDLAQRHYKQ-QWAHXLKUSA-N
• XLogP: 2.85
• TPSA: 129.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.61
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1E,3E)-1-amino-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-4-(methylamino)buta-1,3-dienyl]amino]methyl]-3,5-dimethylbenzenecarboximidamide?

The IUPAC name of 4-[[[(1E,3E)-1-amino-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-4-(methylamino)buta-1,3-dienyl]amino]methyl]-3,5-dimethylbenzenecarboximidamide (CID 165131127) is 4-[[[(1E,3E)-1-amino-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-4-(methylamino)buta-1,3-dienyl]amino]methyl]-3,5-dimethylbenzenecarboximidamide.

What is the SMILES notation for 4-[[[(1E,3E)-1-amino-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-4-(methylamino)buta-1,3-dienyl]amino]methyl]-3,5-dimethylbenzenecarboximidamide?

The canonical SMILES for 4-[[[(1E,3E)-1-amino-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-4-(methylamino)buta-1,3-dienyl]amino]methyl]-3,5-dimethylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)c(CN/C(N)=C/C(=C\NC)NCc2cn3cc(C4CC4)ccc3n2)c(C)c1.

What is the InChIKey of 4-[[[(1E,3E)-1-amino-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-4-(methylamino)buta-1,3-dienyl]amino]methyl]-3,5-dimethylbenzenecarboximidamide?

The InChIKey is UVTBLDLAQRHYKQ-QWAHXLKUSA-N. The full InChI is InChI=1S/C26H34N8/c1-16-8-20(26(28)29)9-17(2)23(16)13-32-24(27)10-21(11-30-3)31-12-22-15-34-14-19(18-4-5-18)6-7-25(34)33-22/h6-11,14-15,18,30-32H,4-5,12-13,27H2,1-3H3,(H3,28,29)/b21-11+,24-10+.

What are the key properties of 4-[[[(1E,3E)-1-amino-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-4-(methylamino)buta-1,3-dienyl]amino]methyl]-3,5-dimethylbenzenecarboximidamide?

4-[[[(1E,3E)-1-amino-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-4-(methylamino)buta-1,3-dienyl]amino]methyl]-3,5-dimethylbenzenecarboximidamide has a molecular weight of 458.61 g/mol, XLogP of 2.85, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[[(1E,3E)-1-amino-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methylamino]-4-(methylamino)buta-1,3-dienyl]amino]methyl]-3,5-dimethylbenzenecarboximidamide is sourced from PubChem (CID 165131127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).