2-[(2-chlorophenyl)methylamino]-1-[(1R)-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine-5-carboxamide

C23H20ClN5O — CID 46238368

About 2-[(2-chlorophenyl)methylamino]-1-[(1R)-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine-5-carboxamide

2-[(2-chlorophenyl)methylamino]-1-[(1R)-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 46238368) has the molecular formula C23H20ClN5O and a molecular weight of 417.90 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-1-[(1R)-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(2-chlorophenyl)methylamino]-1-[(1R)-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine-5-carboxamide
• PubChem CID: 46238368
• Molecular Formula: C23H20ClN5O
• Molecular Weight: 417.90 g/mol
• Exact Mass: 417.14
• IUPAC Name: 2-[(2-chlorophenyl)methylamino]-1-[(1R)-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine-5-carboxamide
• SMILES: NC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2[C@@H]1CCc2ccccc21
• InChI: InChI=1S/C23H20ClN5O/c24-17-8-4-2-6-15(17)13-26-23-28-22-20(12-10-18(27-22)21(25)30)29(23)19-11-9-14-5-1-3-7-16(14)19/h1-8,10,12,19H,9,11,13H2,(H2,25,30)(H,26,27,28)/t19-/m1/s1
• InChIKey: ZZKDYPMSWYPANZ-LJQANCHMSA-N
• XLogP: 4.33
• TPSA: 85.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.90
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-[(1R)-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine-5-carboxamide?

The IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-[(1R)-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine-5-carboxamide (CID 46238368) is 2-[(2-chlorophenyl)methylamino]-1-[(1R)-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine-5-carboxamide.

What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-1-[(1R)-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine-5-carboxamide?

The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-1-[(1R)-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine-5-carboxamide is NC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2[C@@H]1CCc2ccccc21.

What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-1-[(1R)-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine-5-carboxamide?

The InChIKey is ZZKDYPMSWYPANZ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H20ClN5O/c24-17-8-4-2-6-15(17)13-26-23-28-22-20(12-10-18(27-22)21(25)30)29(23)19-11-9-14-5-1-3-7-16(14)19/h1-8,10,12,19H,9,11,13H2,(H2,25,30)(H,26,27,28)/t19-/m1/s1.

What are the key properties of 2-[(2-chlorophenyl)methylamino]-1-[(1R)-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine-5-carboxamide?

2-[(2-chlorophenyl)methylamino]-1-[(1R)-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 417.90 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chlorophenyl)methylamino]-1-[(1R)-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 46238368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).