3-formyl-N'-hydrazinylbenzenecarboximidamide;3-[3-[4-(methylaminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C33H32N10O — CID 176947952

About 3-formyl-N'-hydrazinylbenzenecarboximidamide;3-[3-[4-(methylaminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-formyl-N'-hydrazinylbenzenecarboximidamide;3-[3-[4-(methylaminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 176947952) has the molecular formula C33H32N10O and a molecular weight of 584.69 g/mol. Its IUPAC name is 3-formyl-N'-hydrazinylbenzenecarboximidamide;3-[3-[4-(methylaminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-formyl-N'-hydrazinylbenzenecarboximidamide;3-[3-[4-(methylaminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 176947952
• Molecular Formula: C33H32N10O
• Molecular Weight: 584.69 g/mol
• Exact Mass: 584.28
• IUPAC Name: 3-formyl-N'-hydrazinylbenzenecarboximidamide;3-[3-[4-(methylaminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: CNCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1.NN/N=C(\N)c1cccc(C=O)c1
• InChI: InChI=1S/C25H22N6.C8H10N4O/c1-27-16-17-9-11-19(12-10-17)31-24(20-8-5-15-28-23(20)26)30-22-14-13-21(29-25(22)31)18-6-3-2-4-7-18;9-8(11-12-10)7-3-1-2-6(4-7)5-13/h2-15,27H,16H2,1H3,(H2,26,28);1-5,12H,10H2,(H2,9,11)
• InChIKey: QNODEHJDLIAVCI-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 175.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.69
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 3-formyl-N'-hydrazinylbenzenecarboximidamide;3-[3-[4-(methylaminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of 3-formyl-N'-hydrazinylbenzenecarboximidamide;3-[3-[4-(methylaminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 176947952) is 3-formyl-N'-hydrazinylbenzenecarboximidamide;3-[3-[4-(methylaminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

What is the SMILES notation for 3-formyl-N'-hydrazinylbenzenecarboximidamide;3-[3-[4-(methylaminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for 3-formyl-N'-hydrazinylbenzenecarboximidamide;3-[3-[4-(methylaminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is CNCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1.NN/N=C(\N)c1cccc(C=O)c1.

What is the InChIKey of 3-formyl-N'-hydrazinylbenzenecarboximidamide;3-[3-[4-(methylaminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is QNODEHJDLIAVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6.C8H10N4O/c1-27-16-17-9-11-19(12-10-17)31-24(20-8-5-15-28-23(20)26)30-22-14-13-21(29-25(22)31)18-6-3-2-4-7-18;9-8(11-12-10)7-3-1-2-6(4-7)5-13/h2-15,27H,16H2,1H3,(H2,26,28);1-5,12H,10H2,(H2,9,11).

What are the key properties of 3-formyl-N'-hydrazinylbenzenecarboximidamide;3-[3-[4-(methylaminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

3-formyl-N'-hydrazinylbenzenecarboximidamide;3-[3-[4-(methylaminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 584.69 g/mol, XLogP of 4.03, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-formyl-N'-hydrazinylbenzenecarboximidamide;3-[3-[4-(methylaminomethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 176947952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).