N-[4-[[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexyl]acetamide;N-[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;N-benzyl-5-nitro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-N-benzyl-3-propan-2-ylimidazo[4,5-b]pyridine-5,7-diamine;2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,3-diol

C98H114F3N27O6 — CID 161354575

About N-[4-[[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexyl]acetamide;N-[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;N-benzyl-5-nitro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-N-benzyl-3-propan-2-ylimidazo[4,5-b]pyridine-5,7-diamine;2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,3-diol

N-[4-[[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexyl]acetamide;N-[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;N-benzyl-5-nitro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-N-benzyl-3-propan-2-ylimidazo[4,5-b]pyridine-5,7-diamine;2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,3-diol (PubChem CID 161354575) has the molecular formula C98H114F3N27O6 and a molecular weight of 1823.17 g/mol. Its IUPAC name is N-[4-[[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexyl]acetamide;N-[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;N-benzyl-5-nitro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-N-benzyl-3-propan-2-ylimidazo[4,5-b]pyridine-5,7-diamine;2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,3-diol.

Molecular Properties

• Compound Name: N-[4-[[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexyl]acetamide;N-[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;N-benzyl-5-nitro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-N-benzyl-3-propan-2-ylimidazo[4,5-b]pyridine-5,7-diamine;2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,3-diol
• PubChem CID: 161354575
• Molecular Formula: C98H114F3N27O6
• Molecular Weight: 1823.17 g/mol
• Exact Mass: 1821.94
• IUPAC Name: N-[4-[[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexyl]acetamide;N-[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;N-benzyl-5-nitro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-N-benzyl-3-propan-2-ylimidazo[4,5-b]pyridine-5,7-diamine;2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,3-diol
• SMILES: CC(=O)NC1CCC(Nc2cc(NCc3ccccc3)c3ncn(C(C)C)c3n2)CC1.CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)cc(NC(CO)CO)nc21.CC(C)n1cnc2c(NCc3ccccc3)cc(N)nc21.CC(C)n1cnc2c(NCc3ccccc3)cc(NC(=O)C(F)(F)F)nc21.CC(C)n1cnc2c(NCc3ccccc3)cc([N+](=O)[O-])nc21
• InChI: InChI=1S/C24H28N6O2.C24H32N6O.C18H18F3N5O.C16H17N5O2.C16H19N5/c1-16(2)30-15-27-23-21(11-22(29-24(23)30)28-19(13-31)14-32)26-12-17-6-8-18(9-7-17)20-5-3-4-10-25-20;1-16(2)30-15-26-23-21(25-14-18-7-5-4-6-8-18)13-22(29-24(23)30)28-20-11-9-19(10-12-20)27-17(3)31;1-11(2)26-10-23-15-13(22-9-12-6-4-3-5-7-12)8-14(24-16(15)26)25-17(27)18(19,20)21;1-11(2)20-10-18-15-13(8-14(21(22)23)19-16(15)20)17-9-12-6-4-3-5-7-12;1-11(2)21-10-19-15-13(8-14(17)20-16(15)21)18-9-12-6-4-3-5-7-12/h3-11,15-16,19,31-32H,12-14H2,1-2H3,(H2,26,28,29);4-8,13,15-16,19-20H,9-12,14H2,1-3H3,(H,27,31)(H2,25,28,29);3-8,10-11H,9H2,1-2H3,(H2,22,24,25,27);3-8,10-11H,9H2,1-2H3,(H,17,19);3-8,10-11H,9H2,1-2H3,(H3,17,18,20)
• InChIKey: VOJGNAKLMUTYET-UHFFFAOYSA-N
• XLogP: 18.80
• TPSA: 418.47 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1823.17
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexyl]acetamide;N-[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;N-benzyl-5-nitro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-N-benzyl-3-propan-2-ylimidazo[4,5-b]pyridine-5,7-diamine;2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,3-diol?

The IUPAC name of N-[4-[[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexyl]acetamide;N-[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;N-benzyl-5-nitro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-N-benzyl-3-propan-2-ylimidazo[4,5-b]pyridine-5,7-diamine;2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,3-diol (CID 161354575) is N-[4-[[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexyl]acetamide;N-[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;N-benzyl-5-nitro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-N-benzyl-3-propan-2-ylimidazo[4,5-b]pyridine-5,7-diamine;2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,3-diol.

What is the SMILES notation for N-[4-[[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexyl]acetamide;N-[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;N-benzyl-5-nitro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-N-benzyl-3-propan-2-ylimidazo[4,5-b]pyridine-5,7-diamine;2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,3-diol?

The canonical SMILES for N-[4-[[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexyl]acetamide;N-[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;N-benzyl-5-nitro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-N-benzyl-3-propan-2-ylimidazo[4,5-b]pyridine-5,7-diamine;2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,3-diol is CC(=O)NC1CCC(Nc2cc(NCc3ccccc3)c3ncn(C(C)C)c3n2)CC1.CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)cc(NC(CO)CO)nc21.CC(C)n1cnc2c(NCc3ccccc3)cc(N)nc21.CC(C)n1cnc2c(NCc3ccccc3)cc(NC(=O)C(F)(F)F)nc21.CC(C)n1cnc2c(NCc3ccccc3)cc([N+](=O)[O-])nc21.

What is the InChIKey of N-[4-[[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexyl]acetamide;N-[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;N-benzyl-5-nitro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-N-benzyl-3-propan-2-ylimidazo[4,5-b]pyridine-5,7-diamine;2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,3-diol?

The InChIKey is VOJGNAKLMUTYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2.C24H32N6O.C18H18F3N5O.C16H17N5O2.C16H19N5/c1-16(2)30-15-27-23-21(11-22(29-24(23)30)28-19(13-31)14-32)26-12-17-6-8-18(9-7-17)20-5-3-4-10-25-20;1-16(2)30-15-26-23-21(25-14-18-7-5-4-6-8-18)13-22(29-24(23)30)28-20-11-9-19(10-12-20)27-17(3)31;1-11(2)26-10-23-15-13(22-9-12-6-4-3-5-7-12)8-14(24-16(15)26)25-17(27)18(19,20)21;1-11(2)20-10-18-15-13(8-14(21(22)23)19-16(15)20)17-9-12-6-4-3-5-7-12;1-11(2)21-10-19-15-13(8-14(17)20-16(15)21)18-9-12-6-4-3-5-7-12/h3-11,15-16,19,31-32H,12-14H2,1-2H3,(H2,26,28,29);4-8,13,15-16,19-20H,9-12,14H2,1-3H3,(H,27,31)(H2,25,28,29);3-8,10-11H,9H2,1-2H3,(H2,22,24,25,27);3-8,10-11H,9H2,1-2H3,(H,17,19);3-8,10-11H,9H2,1-2H3,(H3,17,18,20).

What are the key properties of N-[4-[[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexyl]acetamide;N-[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;N-benzyl-5-nitro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-N-benzyl-3-propan-2-ylimidazo[4,5-b]pyridine-5,7-diamine;2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,3-diol?

N-[4-[[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexyl]acetamide;N-[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;N-benzyl-5-nitro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-N-benzyl-3-propan-2-ylimidazo[4,5-b]pyridine-5,7-diamine;2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,3-diol has a molecular weight of 1823.17 g/mol, XLogP of 18.80, 30 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexyl]acetamide;N-[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;N-benzyl-5-nitro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-N-benzyl-3-propan-2-ylimidazo[4,5-b]pyridine-5,7-diamine;2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,3-diol is sourced from PubChem (CID 161354575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).