4-(3H-imidazo[4,5-c]pyridin-2-yl)-N-(1-methylpyrrolo[2,3-b]pyridin-3-yl)oxy-9H-fluoren-9-amine

C27H20N6O — CID 143330735

About 4-(3H-imidazo[4,5-c]pyridin-2-yl)-N-(1-methylpyrrolo[2,3-b]pyridin-3-yl)oxy-9H-fluoren-9-amine

4-(3H-imidazo[4,5-c]pyridin-2-yl)-N-(1-methylpyrrolo[2,3-b]pyridin-3-yl)oxy-9H-fluoren-9-amine (PubChem CID 143330735) has the molecular formula C27H20N6O and a molecular weight of 444.50 g/mol. Its IUPAC name is 4-(3H-imidazo[4,5-c]pyridin-2-yl)-N-(1-methylpyrrolo[2,3-b]pyridin-3-yl)oxy-9H-fluoren-9-amine.

Molecular Properties

• Compound Name: 4-(3H-imidazo[4,5-c]pyridin-2-yl)-N-(1-methylpyrrolo[2,3-b]pyridin-3-yl)oxy-9H-fluoren-9-amine
• PubChem CID: 143330735
• Molecular Formula: C27H20N6O
• Molecular Weight: 444.50 g/mol
• Exact Mass: 444.17
• IUPAC Name: 4-(3H-imidazo[4,5-c]pyridin-2-yl)-N-(1-methylpyrrolo[2,3-b]pyridin-3-yl)oxy-9H-fluoren-9-amine
• SMILES: Cn1cc(ONC2c3ccccc3-c3c(-c4nc5ccncc5[nH]4)cccc32)c2cccnc21
• InChI: InChI=1S/C27H20N6O/c1-33-15-23(18-10-5-12-29-27(18)33)34-32-25-17-7-3-2-6-16(17)24-19(25)8-4-9-20(24)26-30-21-11-13-28-14-22(21)31-26/h2-15,25,32H,1H3,(H,30,31)
• InChIKey: MIQGRPDIPGMUMZ-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 80.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.50
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-N-(1-methylpyrrolo[2,3-b]pyridin-3-yl)oxy-9H-fluoren-9-amine?

The IUPAC name of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-N-(1-methylpyrrolo[2,3-b]pyridin-3-yl)oxy-9H-fluoren-9-amine (CID 143330735) is 4-(3H-imidazo[4,5-c]pyridin-2-yl)-N-(1-methylpyrrolo[2,3-b]pyridin-3-yl)oxy-9H-fluoren-9-amine.

What is the SMILES notation for 4-(3H-imidazo[4,5-c]pyridin-2-yl)-N-(1-methylpyrrolo[2,3-b]pyridin-3-yl)oxy-9H-fluoren-9-amine?

The canonical SMILES for 4-(3H-imidazo[4,5-c]pyridin-2-yl)-N-(1-methylpyrrolo[2,3-b]pyridin-3-yl)oxy-9H-fluoren-9-amine is Cn1cc(ONC2c3ccccc3-c3c(-c4nc5ccncc5[nH]4)cccc32)c2cccnc21.

What is the InChIKey of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-N-(1-methylpyrrolo[2,3-b]pyridin-3-yl)oxy-9H-fluoren-9-amine?

The InChIKey is MIQGRPDIPGMUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N6O/c1-33-15-23(18-10-5-12-29-27(18)33)34-32-25-17-7-3-2-6-16(17)24-19(25)8-4-9-20(24)26-30-21-11-13-28-14-22(21)31-26/h2-15,25,32H,1H3,(H,30,31).

What are the key properties of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-N-(1-methylpyrrolo[2,3-b]pyridin-3-yl)oxy-9H-fluoren-9-amine?

4-(3H-imidazo[4,5-c]pyridin-2-yl)-N-(1-methylpyrrolo[2,3-b]pyridin-3-yl)oxy-9H-fluoren-9-amine has a molecular weight of 444.50 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3H-imidazo[4,5-c]pyridin-2-yl)-N-(1-methylpyrrolo[2,3-b]pyridin-3-yl)oxy-9H-fluoren-9-amine is sourced from PubChem (CID 143330735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).