acetic acid;2-chloro-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-cyclohexyl-6-(3-hydroxycyclopentyl)oxy-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-4-ylamino)pyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-(7-methyl-6-pentan-3-yloxypyrazolo[3,4-b]pyridin-3-yl)cyclohexanecarboxamide;hexakis(2,2,2-trifluoroacetic acid)

C114H141ClF18N24O30 — CID 157420759

About acetic acid;2-chloro-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-cyclohexyl-6-(3-hydroxycyclopentyl)oxy-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-4-ylamino)pyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-(7-methyl-6-pentan-3-yloxypyrazolo[3,4-b]pyridin-3-yl)cyclohexanecarboxamide;hexakis(2,2,2-trifluoroacetic acid)

acetic acid;2-chloro-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-cyclohexyl-6-(3-hydroxycyclopentyl)oxy-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-4-ylamino)pyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-(7-methyl-6-pentan-3-yloxypyrazolo[3,4-b]pyridin-3-yl)cyclohexanecarboxamide;hexakis(2,2,2-trifluoroacetic acid) (PubChem CID 157420759) has the molecular formula C114H141ClF18N24O30 and a molecular weight of 2704.94 g/mol. Its IUPAC name is acetic acid;2-chloro-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-cyclohexyl-6-(3-hydroxycyclopentyl)oxy-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-4-ylamino)pyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-(7-methyl-6-pentan-3-yloxypyrazolo[3,4-b]pyridin-3-yl)cyclohexanecarboxamide;hexakis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: acetic acid;2-chloro-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-cyclohexyl-6-(3-hydroxycyclopentyl)oxy-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-4-ylamino)pyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-(7-methyl-6-pentan-3-yloxypyrazolo[3,4-b]pyridin-3-yl)cyclohexanecarboxamide;hexakis(2,2,2-trifluoroacetic acid)
• PubChem CID: 157420759
• Molecular Formula: C114H141ClF18N24O30
• Molecular Weight: 2704.94 g/mol
• Exact Mass: 2702.96
• IUPAC Name: acetic acid;2-chloro-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-cyclohexyl-6-(3-hydroxycyclopentyl)oxy-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-4-ylamino)pyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-(7-methyl-6-pentan-3-yloxypyrazolo[3,4-b]pyridin-3-yl)cyclohexanecarboxamide;hexakis(2,2,2-trifluoroacetic acid)
• SMILES: CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCC(CC)Oc1ccc2c(NC(=O)C3CCCCC3)nnc-2n1C.CCC(CC)Oc1ccc2c(NC(=O)c3cccnc3C)nn(C)c2n1.CCC(CC)Oc1ccc2c(NC(=O)c3cccnc3Cl)nn(C)c2n1.Cn1nc(C(=O)NC2CCCCC2)c2ccc(Nc3ccncc3)nc21.Cn1nc(C(=O)NC2CCCCC2)c2ccc(OC3CCC(O)C3)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/C19H22N6O.C19H23N5O2.C19H26N4O3.C19H28N4O2.C18H20ClN5O2.6C2HF3O2.4C2H4O2/c1-25-18-15(7-8-16(23-18)21-14-9-11-20-12-10-14)17(24-25)19(26)22-13-5-3-2-4-6-13;1-5-13(6-2)26-16-10-9-15-17(23-24(4)18(15)21-16)22-19(25)14-8-7-11-20-12(14)3;1-23-18-15(9-10-16(21-18)26-14-8-7-13(24)11-14)17(22-23)19(25)20-12-5-3-2-4-6-12;1-4-14(5-2)25-16-12-11-15-17(21-22-18(15)23(16)3)20-19(24)13-9-7-6-8-10-13;1-4-11(5-2)26-14-9-8-13-16(23-24(3)17(13)21-14)22-18(25)12-7-6-10-20-15(12)19;6*3-2(4,5)1(6)7;4*1-2(3)4/h7-13H,2-6H2,1H3,(H,22,26)(H,20,21,23);7-11,13H,5-6H2,1-4H3,(H,22,23,25);9-10,12-14,24H,2-8,11H2,1H3,(H,20,25);11-14H,4-10H2,1-3H3,(H,20,21,24);6-11H,4-5H2,1-3H3,(H,22,23,25);6*(H,6,7);4*1H3,(H,3,4)
• InChIKey: SLFRFMNADISAFO-UHFFFAOYSA-N
• XLogP: 20.99
• TPSA: 779.90 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2704.94
LogP ≤ 5	20.99
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-chloro-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-cyclohexyl-6-(3-hydroxycyclopentyl)oxy-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-4-ylamino)pyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-(7-methyl-6-pentan-3-yloxypyrazolo[3,4-b]pyridin-3-yl)cyclohexanecarboxamide;hexakis(2,2,2-trifluoroacetic acid)?

The IUPAC name of acetic acid;2-chloro-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-cyclohexyl-6-(3-hydroxycyclopentyl)oxy-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-4-ylamino)pyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-(7-methyl-6-pentan-3-yloxypyrazolo[3,4-b]pyridin-3-yl)cyclohexanecarboxamide;hexakis(2,2,2-trifluoroacetic acid) (CID 157420759) is acetic acid;2-chloro-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-cyclohexyl-6-(3-hydroxycyclopentyl)oxy-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-4-ylamino)pyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-(7-methyl-6-pentan-3-yloxypyrazolo[3,4-b]pyridin-3-yl)cyclohexanecarboxamide;hexakis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for acetic acid;2-chloro-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-cyclohexyl-6-(3-hydroxycyclopentyl)oxy-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-4-ylamino)pyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-(7-methyl-6-pentan-3-yloxypyrazolo[3,4-b]pyridin-3-yl)cyclohexanecarboxamide;hexakis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for acetic acid;2-chloro-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-cyclohexyl-6-(3-hydroxycyclopentyl)oxy-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-4-ylamino)pyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-(7-methyl-6-pentan-3-yloxypyrazolo[3,4-b]pyridin-3-yl)cyclohexanecarboxamide;hexakis(2,2,2-trifluoroacetic acid) is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCC(CC)Oc1ccc2c(NC(=O)C3CCCCC3)nnc-2n1C.CCC(CC)Oc1ccc2c(NC(=O)c3cccnc3C)nn(C)c2n1.CCC(CC)Oc1ccc2c(NC(=O)c3cccnc3Cl)nn(C)c2n1.Cn1nc(C(=O)NC2CCCCC2)c2ccc(Nc3ccncc3)nc21.Cn1nc(C(=O)NC2CCCCC2)c2ccc(OC3CCC(O)C3)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 acetic acid;2-chloro-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-cyclohexyl-6-(3-hydroxycyclopentyl)oxy-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-4-ylamino)pyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-(7-methyl-6-pentan-3-yloxypyrazolo[3,4-b]pyridin-3-yl)cyclohexanecarboxamide;hexakis(2,2,2-trifluoroacetic acid)?

The InChIKey is SLFRFMNADISAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O.C19H23N5O2.C19H26N4O3.C19H28N4O2.C18H20ClN5O2.6C2HF3O2.4C2H4O2/c1-25-18-15(7-8-16(23-18)21-14-9-11-20-12-10-14)17(24-25)19(26)22-13-5-3-2-4-6-13;1-5-13(6-2)26-16-10-9-15-17(23-24(4)18(15)21-16)22-19(25)14-8-7-11-20-12(14)3;1-23-18-15(9-10-16(21-18)26-14-8-7-13(24)11-14)17(22-23)19(25)20-12-5-3-2-4-6-12;1-4-14(5-2)25-16-12-11-15-17(21-22-18(15)23(16)3)20-19(24)13-9-7-6-8-10-13;1-4-11(5-2)26-14-9-8-13-16(23-24(3)17(13)21-14)22-18(25)12-7-6-10-20-15(12)19;6*3-2(4,5)1(6)7;4*1-2(3)4/h7-13H,2-6H2,1H3,(H,22,26)(H,20,21,23);7-11,13H,5-6H2,1-4H3,(H,22,23,25);9-10,12-14,24H,2-8,11H2,1H3,(H,20,25);11-14H,4-10H2,1-3H3,(H,20,21,24);6-11H,4-5H2,1-3H3,(H,22,23,25);6*(H,6,7);4*1H3,(H,3,4).

What are the key properties of acetic acid;2-chloro-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-cyclohexyl-6-(3-hydroxycyclopentyl)oxy-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-4-ylamino)pyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-(7-methyl-6-pentan-3-yloxypyrazolo[3,4-b]pyridin-3-yl)cyclohexanecarboxamide;hexakis(2,2,2-trifluoroacetic acid)?

acetic acid;2-chloro-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-cyclohexyl-6-(3-hydroxycyclopentyl)oxy-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-4-ylamino)pyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-(7-methyl-6-pentan-3-yloxypyrazolo[3,4-b]pyridin-3-yl)cyclohexanecarboxamide;hexakis(2,2,2-trifluoroacetic acid) has a molecular weight of 2704.94 g/mol, XLogP of 20.99, 26 rotatable bonds, 17 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;2-chloro-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-cyclohexyl-6-(3-hydroxycyclopentyl)oxy-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-1-methyl-6-(pyridin-4-ylamino)pyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-N-(1-methyl-6-pentan-3-yloxypyrazolo[5,4-b]pyridin-3-yl)pyridine-3-carboxamide;N-(7-methyl-6-pentan-3-yloxypyrazolo[3,4-b]pyridin-3-yl)cyclohexanecarboxamide;hexakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 157420759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).