2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid

C69H60Cl3F9N12O6 — CID 158727356

About 2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid

2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid (PubChem CID 158727356) has the molecular formula C69H60Cl3F9N12O6 and a molecular weight of 1430.66 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid
• PubChem CID: 158727356
• Molecular Formula: C69H60Cl3F9N12O6
• Molecular Weight: 1430.66 g/mol
• Exact Mass: 1428.37
• IUPAC Name: 2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid
• SMILES: CC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)O)c1.Cn1c(-c2cccc(Cl)c2)cc2nc(CC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc21.Cn1c(-c2cccc(Cl)c2)cc2nc(N)ccc21.Cn1c(-c2cccc(Cl)c2)cc2nc(NC(=O)C(F)(F)F)ccc21
• InChI: InChI=1S/C27H24ClF3N4O2.C16H11ClF3N3O.C14H12ClN3.C12H13F3N2O3/c1-27(2,31)26(37)33-14-15-9-19(24(25(29)30)32-13-15)23(36)11-18-7-8-21-20(34-18)12-22(35(21)3)16-5-4-6-17(28)10-16;1-23-12-5-6-14(22-15(24)16(18,19)20)21-11(12)8-13(23)9-3-2-4-10(17)7-9;1-18-12-5-6-14(16)17-11(12)8-13(18)9-3-2-4-10(15)7-9;1-12(2,15)11(20)17-5-6-3-7(10(18)19)8(9(13)14)16-4-6/h4-10,12-13,25H,11,14H2,1-3H3,(H,33,37);2-8H,1H3,(H,21,22,24);2-8H,1H3,(H2,16,17);3-4,9H,5H2,1-2H3,(H,17,20)(H,18,19)
• InChIKey: IKRDXBDJKULXCC-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 246.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1430.66
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid?

The IUPAC name of 2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid (CID 158727356) is 2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid.

What is the SMILES notation for 2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid?

The canonical SMILES for 2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid is CC(C)(F)C(=O)NCc1cnc(C(F)F)c(C(=O)O)c1.Cn1c(-c2cccc(Cl)c2)cc2nc(CC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc21.Cn1c(-c2cccc(Cl)c2)cc2nc(N)ccc21.Cn1c(-c2cccc(Cl)c2)cc2nc(NC(=O)C(F)(F)F)ccc21.

What is the InChIKey of 2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid?

The InChIKey is IKRDXBDJKULXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClF3N4O2.C16H11ClF3N3O.C14H12ClN3.C12H13F3N2O3/c1-27(2,31)26(37)33-14-15-9-19(24(25(29)30)32-13-15)23(36)11-18-7-8-21-20(34-18)12-22(35(21)3)16-5-4-6-17(28)10-16;1-23-12-5-6-14(22-15(24)16(18,19)20)21-11(12)8-13(23)9-3-2-4-10(17)7-9;1-18-12-5-6-14(16)17-11(12)8-13(18)9-3-2-4-10(15)7-9;1-12(2,15)11(20)17-5-6-3-7(10(18)19)8(9(13)14)16-4-6/h4-10,12-13,25H,11,14H2,1-3H3,(H,33,37);2-8H,1H3,(H,21,22,24);2-8H,1H3,(H2,16,17);3-4,9H,5H2,1-2H3,(H,17,20)(H,18,19).

What are the key properties of 2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid?

2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid has a molecular weight of 1430.66 g/mol, XLogP of 15.97, 16 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-amine;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 158727356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).