2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N'-hydrazinyl-4-phenylbenzenecarboximidamide

C30H31N7 — CID 145432665

About 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N'-hydrazinyl-4-phenylbenzenecarboximidamide

2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N'-hydrazinyl-4-phenylbenzenecarboximidamide (PubChem CID 145432665) has the molecular formula C30H31N7 and a molecular weight of 489.63 g/mol. Its IUPAC name is 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N'-hydrazinyl-4-phenylbenzenecarboximidamide.

Molecular Properties

• Compound Name: 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N'-hydrazinyl-4-phenylbenzenecarboximidamide
• PubChem CID: 145432665
• Molecular Formula: C30H31N7
• Molecular Weight: 489.63 g/mol
• Exact Mass: 489.26
• IUPAC Name: 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N'-hydrazinyl-4-phenylbenzenecarboximidamide
• SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(-c3ccccc3)ccc2/C(N)=N/NN)cc1
• InChI: InChI=1S/C30H31N7/c1-4-27-34-28-19(2)16-20(3)33-30(28)37(27)18-21-10-12-23(13-11-21)26-17-24(22-8-6-5-7-9-22)14-15-25(26)29(31)35-36-32/h5-17,36H,4,18,32H2,1-3H3,(H2,31,35)
• InChIKey: QDKMUVACRZRFKS-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 107.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.63
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N'-hydrazinyl-4-phenylbenzenecarboximidamide?

The IUPAC name of 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N'-hydrazinyl-4-phenylbenzenecarboximidamide (CID 145432665) is 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N'-hydrazinyl-4-phenylbenzenecarboximidamide.

What is the SMILES notation for 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N'-hydrazinyl-4-phenylbenzenecarboximidamide?

The canonical SMILES for 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N'-hydrazinyl-4-phenylbenzenecarboximidamide is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(-c3ccccc3)ccc2/C(N)=N/NN)cc1.

What is the InChIKey of 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N'-hydrazinyl-4-phenylbenzenecarboximidamide?

The InChIKey is QDKMUVACRZRFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7/c1-4-27-34-28-19(2)16-20(3)33-30(28)37(27)18-21-10-12-23(13-11-21)26-17-24(22-8-6-5-7-9-22)14-15-25(26)29(31)35-36-32/h5-17,36H,4,18,32H2,1-3H3,(H2,31,35).

What are the key properties of 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N'-hydrazinyl-4-phenylbenzenecarboximidamide?

2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N'-hydrazinyl-4-phenylbenzenecarboximidamide has a molecular weight of 489.63 g/mol, XLogP of 5.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-N'-hydrazinyl-4-phenylbenzenecarboximidamide is sourced from PubChem (CID 145432665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).