6-(azepan-1-yl)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-4-chloropyridine-3-carboxamide;[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2H-pyrrole-5-carboxamide;6-(azepan-1-yl)-1-methyl-N-(4H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methane;hexakis(2,2,2-trifluoroacetic acid)

C109H125ClF18N32O17 — CID 161461799

About 6-(azepan-1-yl)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-4-chloropyridine-3-carboxamide;[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2H-pyrrole-5-carboxamide;6-(azepan-1-yl)-1-methyl-N-(4H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methane;hexakis(2,2,2-trifluoroacetic acid)

6-(azepan-1-yl)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-4-chloropyridine-3-carboxamide;[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2H-pyrrole-5-carboxamide;6-(azepan-1-yl)-1-methyl-N-(4H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methane;hexakis(2,2,2-trifluoroacetic acid) (PubChem CID 161461799) has the molecular formula C109H125ClF18N32O17 and a molecular weight of 2532.82 g/mol. Its IUPAC name is 6-(azepan-1-yl)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-4-chloropyridine-3-carboxamide;[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2H-pyrrole-5-carboxamide;6-(azepan-1-yl)-1-methyl-N-(4H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methane;hexakis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 6-(azepan-1-yl)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-4-chloropyridine-3-carboxamide;[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2H-pyrrole-5-carboxamide;6-(azepan-1-yl)-1-methyl-N-(4H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methane;hexakis(2,2,2-trifluoroacetic acid)
• PubChem CID: 161461799
• Molecular Formula: C109H125ClF18N32O17
• Molecular Weight: 2532.82 g/mol
• Exact Mass: 2530.93
• IUPAC Name: 6-(azepan-1-yl)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-4-chloropyridine-3-carboxamide;[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2H-pyrrole-5-carboxamide;6-(azepan-1-yl)-1-methyl-N-(4H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methane;hexakis(2,2,2-trifluoroacetic acid)
• SMILES: C.Cn1nc(C(=O)N2CCN(c3ncccn3)CC2)c2ccc(N3CCCCCC3)nc21.Cn1nc(C(=O)NC2=NN=CC2)c2ccc(N3CCCCCC3)nc21.Cn1nc(C(=O)Nc2ccccc2)c2ccc(N3CCCCCC3)nc21.Cn1nc(NC(=O)C2=NCC=C2)c2ccc(N3CCCCCC3)nc21.Cn1nc(NC(=O)c2cnccc2Cl)c2ccc(N3CCCCCC3)nc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H28N8O.C20H23N5O.C19H21ClN6O.C18H22N6O.C17H21N7O.6C2HF3O2.CH4/c1-27-20-17(7-8-18(25-20)28-11-4-2-3-5-12-28)19(26-27)21(31)29-13-15-30(16-14-29)22-23-9-6-10-24-22;1-24-19-16(11-12-17(22-19)25-13-7-2-3-8-14-25)18(23-24)20(26)21-15-9-5-4-6-10-15;1-25-18-13(6-7-16(22-18)26-10-4-2-3-5-11-26)17(24-25)23-19(27)14-12-21-9-8-15(14)20;1-23-17-13(16(22-23)21-18(25)14-7-6-10-19-14)8-9-15(20-17)24-11-4-2-3-5-12-24;1-23-16-12(15(22-23)17(25)19-13-8-9-18-21-13)6-7-14(20-16)24-10-4-2-3-5-11-24;6*3-2(4,5)1(6)7;/h6-10H,2-5,11-16H2,1H3;4-6,9-12H,2-3,7-8,13-14H2,1H3,(H,21,26);6-9,12H,2-5,10-11H2,1H3,(H,23,24,27);6-9H,2-5,10-12H2,1H3,(H,21,22,25);6-7,9H,2-5,8,10-11H2,1H3,(H,19,21,25);6*(H,6,7);1H4
• InChIKey: GJZPILQOYUICHF-UHFFFAOYSA-N
• XLogP: 17.95
• TPSA: 609.25 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 14
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2532.82
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-4-chloropyridine-3-carboxamide;[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2H-pyrrole-5-carboxamide;6-(azepan-1-yl)-1-methyl-N-(4H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methane;hexakis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 6-(azepan-1-yl)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-4-chloropyridine-3-carboxamide;[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2H-pyrrole-5-carboxamide;6-(azepan-1-yl)-1-methyl-N-(4H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methane;hexakis(2,2,2-trifluoroacetic acid) (CID 161461799) is 6-(azepan-1-yl)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-4-chloropyridine-3-carboxamide;[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2H-pyrrole-5-carboxamide;6-(azepan-1-yl)-1-methyl-N-(4H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methane;hexakis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 6-(azepan-1-yl)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-4-chloropyridine-3-carboxamide;[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2H-pyrrole-5-carboxamide;6-(azepan-1-yl)-1-methyl-N-(4H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methane;hexakis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 6-(azepan-1-yl)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-4-chloropyridine-3-carboxamide;[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2H-pyrrole-5-carboxamide;6-(azepan-1-yl)-1-methyl-N-(4H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methane;hexakis(2,2,2-trifluoroacetic acid) is C.Cn1nc(C(=O)N2CCN(c3ncccn3)CC2)c2ccc(N3CCCCCC3)nc21.Cn1nc(C(=O)NC2=NN=CC2)c2ccc(N3CCCCCC3)nc21.Cn1nc(C(=O)Nc2ccccc2)c2ccc(N3CCCCCC3)nc21.Cn1nc(NC(=O)C2=NCC=C2)c2ccc(N3CCCCCC3)nc21.Cn1nc(NC(=O)c2cnccc2Cl)c2ccc(N3CCCCCC3)nc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 6-(azepan-1-yl)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-4-chloropyridine-3-carboxamide;[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2H-pyrrole-5-carboxamide;6-(azepan-1-yl)-1-methyl-N-(4H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methane;hexakis(2,2,2-trifluoroacetic acid)?

The InChIKey is GJZPILQOYUICHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O.C20H23N5O.C19H21ClN6O.C18H22N6O.C17H21N7O.6C2HF3O2.CH4/c1-27-20-17(7-8-18(25-20)28-11-4-2-3-5-12-28)19(26-27)21(31)29-13-15-30(16-14-29)22-23-9-6-10-24-22;1-24-19-16(11-12-17(22-19)25-13-7-2-3-8-14-25)18(23-24)20(26)21-15-9-5-4-6-10-15;1-25-18-13(6-7-16(22-18)26-10-4-2-3-5-11-26)17(24-25)23-19(27)14-12-21-9-8-15(14)20;1-23-17-13(16(22-23)21-18(25)14-7-6-10-19-14)8-9-15(20-17)24-11-4-2-3-5-12-24;1-23-16-12(15(22-23)17(25)19-13-8-9-18-21-13)6-7-14(20-16)24-10-4-2-3-5-11-24;6*3-2(4,5)1(6)7;/h6-10H,2-5,11-16H2,1H3;4-6,9-12H,2-3,7-8,13-14H2,1H3,(H,21,26);6-9,12H,2-5,10-11H2,1H3,(H,23,24,27);6-9H,2-5,10-12H2,1H3,(H,21,22,25);6-7,9H,2-5,8,10-11H2,1H3,(H,19,21,25);6*(H,6,7);1H4.

What are the key properties of 6-(azepan-1-yl)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-4-chloropyridine-3-carboxamide;[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2H-pyrrole-5-carboxamide;6-(azepan-1-yl)-1-methyl-N-(4H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methane;hexakis(2,2,2-trifluoroacetic acid)?

6-(azepan-1-yl)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-4-chloropyridine-3-carboxamide;[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2H-pyrrole-5-carboxamide;6-(azepan-1-yl)-1-methyl-N-(4H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methane;hexakis(2,2,2-trifluoroacetic acid) has a molecular weight of 2532.82 g/mol, XLogP of 17.95, 14 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(azepan-1-yl)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-4-chloropyridine-3-carboxamide;[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;N-[6-(azepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2H-pyrrole-5-carboxamide;6-(azepan-1-yl)-1-methyl-N-(4H-pyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methane;hexakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 161461799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).