6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid)

C₉₁H₁₀₄F₁₄N₂₂O₁₃ — CID 158218499

About 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid)

6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid) (PubChem CID 158218499) has the molecular formula C₉₁H₁₀₄F₁₄N₂₂O₁₃ and a molecular weight of 1979.95 g/mol. Its IUPAC name is 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid)
• PubChem CID: 158218499
• Molecular Formula: C₉₁H₁₀₄F₁₄N₂₂O₁₃
• Molecular Weight: 1979.95 g/mol
• Exact Mass: 1978.79
• IUPAC Name: 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid)
• SMILES: C.C.Cc1c(F)ccc(C(=O)Nc2nn(C)c3nc(N4CCCC4)ccc23)c1F.Cc1ccc(Cn2nc(NC(=O)C3CCOCC3)c3ccc(N4CCCC4)nc32)cc1.Cn1nc(C(=O)Nc2ccccn2)c2ccc(N3CCCCCC3)nc21.Cn1nc(C(=O)Nc2cccnc2)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
• InChI: InChI=1S/C24H29N5O2.C19H19F2N5O.2C19H22N6O.4C2HF3O2.2CH4/c1-17-4-6-18(7-5-17)16-29-23-20(8-9-21(25-23)28-12-2-3-13-28)22(27-29)26-24(30)19-10-14-31-15-11-19;1-11-14(20)7-5-12(16(11)21)19(27)23-17-13-6-8-15(26-9-3-4-10-26)22-18(13)25(2)24-17;1-24-18-14(9-10-16(22-18)25-12-6-2-3-7-13-25)17(23-24)19(26)21-15-8-4-5-11-20-15;1-24-18-15(8-9-16(22-18)25-11-4-2-3-5-12-25)17(23-24)19(26)21-14-7-6-10-20-13-14;4*3-2(4,5)1(6)7;;/h4-9,19H,2-3,10-16H2,1H3,(H,26,27,30);5-8H,3-4,9-10H2,1-2H3,(H,23,24,27);4-5,8-11H,2-3,6-7,12-13H2,1H3,(H,20,21,26);6-10,13H,2-5,11-12H2,1H3,(H,21,26);4*(H,6,7);2*1H4
• InChIKey: CDZVURCETSNAHO-UHFFFAOYSA-N
• XLogP: 16.96
• TPSA: 436.41 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1979.95
LogP ≤ 5	16.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid) (CID 158218499) is 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid) is C.C.Cc1c(F)ccc(C(=O)Nc2nn(C)c3nc(N4CCCC4)ccc23)c1F.Cc1ccc(Cn2nc(NC(=O)C3CCOCC3)c3ccc(N4CCCC4)nc32)cc1.Cn1nc(C(=O)Nc2ccccn2)c2ccc(N3CCCCCC3)nc21.Cn1nc(C(=O)Nc2cccnc2)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.

What is the InChIKey of 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid)?

The InChIKey is CDZVURCETSNAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2.C19H19F2N5O.2C19H22N6O.4C2HF3O2.2CH4/c1-17-4-6-18(7-5-17)16-29-23-20(8-9-21(25-23)28-12-2-3-13-28)22(27-29)26-24(30)19-10-14-31-15-11-19;1-11-14(20)7-5-12(16(11)21)19(27)23-17-13-6-8-15(26-9-3-4-10-26)22-18(13)25(2)24-17;1-24-18-14(9-10-16(22-18)25-12-6-2-3-7-13-25)17(23-24)19(26)21-15-8-4-5-11-20-15;1-24-18-15(8-9-16(22-18)25-11-4-2-3-5-12-25)17(23-24)19(26)21-14-7-6-10-20-13-14;4*3-2(4,5)1(6)7;;/h4-9,19H,2-3,10-16H2,1H3,(H,26,27,30);5-8H,3-4,9-10H2,1-2H3,(H,23,24,27);4-5,8-11H,2-3,6-7,12-13H2,1H3,(H,20,21,26);6-10,13H,2-5,11-12H2,1H3,(H,21,26);4*(H,6,7);2*1H4.

What are the key properties of 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid)?

6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid) has a molecular weight of 1979.95 g/mol, XLogP of 16.96, 14 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 158218499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158218499 — identifiers, structure, computed properties (public domain)

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