N-[3-[2-[1-(2-aminophenyl)ethenyl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine

C24H25FN6 — CID 145308425

About N-[3-[2-[1-(2-aminophenyl)ethenyl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine

N-[3-[2-[1-(2-aminophenyl)ethenyl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 145308425) has the molecular formula C24H25FN6 and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[3-[2-[1-(2-aminophenyl)ethenyl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: N-[3-[2-[1-(2-aminophenyl)ethenyl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
• PubChem CID: 145308425
• Molecular Formula: C24H25FN6
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.21
• IUPAC Name: N-[3-[2-[1-(2-aminophenyl)ethenyl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
• SMILES: C=C(c1nc2c(-c3cc(F)cc(NCCN(C)C)c3)cncc2[nH]1)c1ccccc1N
• InChI: InChI=1S/C24H25FN6/c1-15(19-6-4-5-7-21(19)26)24-29-22-14-27-13-20(23(22)30-24)16-10-17(25)12-18(11-16)28-8-9-31(2)3/h4-7,10-14,28H,1,8-9,26H2,2-3H3,(H,29,30)
• InChIKey: CFRCTVRRZFLPAB-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 82.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.50
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[1-(2-aminophenyl)ethenyl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine?

The IUPAC name of N-[3-[2-[1-(2-aminophenyl)ethenyl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine (CID 145308425) is N-[3-[2-[1-(2-aminophenyl)ethenyl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine.

What is the SMILES notation for N-[3-[2-[1-(2-aminophenyl)ethenyl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine?

The canonical SMILES for N-[3-[2-[1-(2-aminophenyl)ethenyl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine is C=C(c1nc2c(-c3cc(F)cc(NCCN(C)C)c3)cncc2[nH]1)c1ccccc1N.

What is the InChIKey of N-[3-[2-[1-(2-aminophenyl)ethenyl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine?

The InChIKey is CFRCTVRRZFLPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6/c1-15(19-6-4-5-7-21(19)26)24-29-22-14-27-13-20(23(22)30-24)16-10-17(25)12-18(11-16)28-8-9-31(2)3/h4-7,10-14,28H,1,8-9,26H2,2-3H3,(H,29,30).

What are the key properties of N-[3-[2-[1-(2-aminophenyl)ethenyl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine?

N-[3-[2-[1-(2-aminophenyl)ethenyl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 416.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[1-(2-aminophenyl)ethenyl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 145308425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).