lithium;benzene;methane;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[phenyl(2,2,2-trifluoroethoxy)methyl]pyrazolo[4,3-b]pyridine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridine-7-carbaldehyde;[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol;oxolane;2,2,2-trifluoroethanol

C84H84F6LiN15O8 — CID 161000769

About lithium;benzene;methane;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[phenyl(2,2,2-trifluoroethoxy)methyl]pyrazolo[4,3-b]pyridine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridine-7-carbaldehyde;[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol;oxolane;2,2,2-trifluoroethanol

lithium;benzene;methane;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[phenyl(2,2,2-trifluoroethoxy)methyl]pyrazolo[4,3-b]pyridine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridine-7-carbaldehyde;[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol;oxolane;2,2,2-trifluoroethanol (PubChem CID 161000769) has the molecular formula C84H84F6LiN15O8 and a molecular weight of 1552.62 g/mol. Its IUPAC name is lithium;benzene;methane;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[phenyl(2,2,2-trifluoroethoxy)methyl]pyrazolo[4,3-b]pyridine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridine-7-carbaldehyde;[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol;oxolane;2,2,2-trifluoroethanol.

Molecular Properties

• Compound Name: lithium;benzene;methane;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[phenyl(2,2,2-trifluoroethoxy)methyl]pyrazolo[4,3-b]pyridine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridine-7-carbaldehyde;[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol;oxolane;2,2,2-trifluoroethanol
• PubChem CID: 161000769
• Molecular Formula: C84H84F6LiN15O8
• Molecular Weight: 1552.62 g/mol
• Exact Mass: 1551.67
• IUPAC Name: lithium;benzene;methane;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[phenyl(2,2,2-trifluoroethoxy)methyl]pyrazolo[4,3-b]pyridine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridine-7-carbaldehyde;[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol;oxolane;2,2,2-trifluoroethanol
• SMILES: C.C1CCOC1.COc1cc(-n2cccn2)ccc1-c1nn(C)c2c(C(O)c3ccccc3)cc(C)nc12.COc1cc(-n2cccn2)ccc1-c1nn(C)c2c(C(OCC(F)(F)F)c3ccccc3)cc(C)nc12.COc1cc(-n2cccn2)ccc1-c1nn(C)c2c(C=O)cc(C)nc12.OCC(F)(F)F.[Li+].[c-]1ccccc1
• InChI: InChI=1S/C27H24F3N5O2.C25H23N5O2.C19H17N5O2.C6H5.C4H8O.C2H3F3O.CH4.Li/c1-17-14-21(26(37-16-27(28,29)30)18-8-5-4-6-9-18)25-24(32-17)23(33-34(25)2)20-11-10-19(15-22(20)36-3)35-13-7-12-31-35;1-16-14-20(25(31)17-8-5-4-6-9-17)24-23(27-16)22(28-29(24)2)19-11-10-18(15-21(19)32-3)30-13-7-12-26-30;1-12-9-13(11-25)19-18(21-12)17(22-23(19)2)15-6-5-14(10-16(15)26-3)24-8-4-7-20-24;1-2-4-6-5-3-1;1-2-4-5-3-1;3-2(4,5)1-6;;/h4-15,26H,16H2,1-3H3;4-15,25,31H,1-3H3;4-11H,1-3H3;1-5H;1-4H2;6H,1H2;1H4;/q;;;-1;;;;+1
• InChIKey: MTTRSSBNPLBUMO-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 249.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1552.62
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;benzene;methane;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[phenyl(2,2,2-trifluoroethoxy)methyl]pyrazolo[4,3-b]pyridine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridine-7-carbaldehyde;[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol;oxolane;2,2,2-trifluoroethanol?

The IUPAC name of lithium;benzene;methane;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[phenyl(2,2,2-trifluoroethoxy)methyl]pyrazolo[4,3-b]pyridine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridine-7-carbaldehyde;[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol;oxolane;2,2,2-trifluoroethanol (CID 161000769) is lithium;benzene;methane;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[phenyl(2,2,2-trifluoroethoxy)methyl]pyrazolo[4,3-b]pyridine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridine-7-carbaldehyde;[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol;oxolane;2,2,2-trifluoroethanol.

What is the SMILES notation for lithium;benzene;methane;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[phenyl(2,2,2-trifluoroethoxy)methyl]pyrazolo[4,3-b]pyridine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridine-7-carbaldehyde;[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol;oxolane;2,2,2-trifluoroethanol?

The canonical SMILES for lithium;benzene;methane;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[phenyl(2,2,2-trifluoroethoxy)methyl]pyrazolo[4,3-b]pyridine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridine-7-carbaldehyde;[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol;oxolane;2,2,2-trifluoroethanol is C.C1CCOC1.COc1cc(-n2cccn2)ccc1-c1nn(C)c2c(C(O)c3ccccc3)cc(C)nc12.COc1cc(-n2cccn2)ccc1-c1nn(C)c2c(C(OCC(F)(F)F)c3ccccc3)cc(C)nc12.COc1cc(-n2cccn2)ccc1-c1nn(C)c2c(C=O)cc(C)nc12.OCC(F)(F)F.[Li+].[c-]1ccccc1.

What is the InChIKey of lithium;benzene;methane;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[phenyl(2,2,2-trifluoroethoxy)methyl]pyrazolo[4,3-b]pyridine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridine-7-carbaldehyde;[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol;oxolane;2,2,2-trifluoroethanol?

The InChIKey is MTTRSSBNPLBUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O2.C25H23N5O2.C19H17N5O2.C6H5.C4H8O.C2H3F3O.CH4.Li/c1-17-14-21(26(37-16-27(28,29)30)18-8-5-4-6-9-18)25-24(32-17)23(33-34(25)2)20-11-10-19(15-22(20)36-3)35-13-7-12-31-35;1-16-14-20(25(31)17-8-5-4-6-9-17)24-23(27-16)22(28-29(24)2)19-11-10-18(15-21(19)32-3)30-13-7-12-26-30;1-12-9-13(11-25)19-18(21-12)17(22-23(19)2)15-6-5-14(10-16(15)26-3)24-8-4-7-20-24;1-2-4-6-5-3-1;1-2-4-5-3-1;3-2(4,5)1-6;;/h4-15,26H,16H2,1-3H3;4-15,25,31H,1-3H3;4-11H,1-3H3;1-5H;1-4H2;6H,1H2;1H4;/q;;;-1;;;;+1.

What are the key properties of lithium;benzene;methane;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[phenyl(2,2,2-trifluoroethoxy)methyl]pyrazolo[4,3-b]pyridine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridine-7-carbaldehyde;[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol;oxolane;2,2,2-trifluoroethanol?

lithium;benzene;methane;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[phenyl(2,2,2-trifluoroethoxy)methyl]pyrazolo[4,3-b]pyridine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridine-7-carbaldehyde;[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol;oxolane;2,2,2-trifluoroethanol has a molecular weight of 1552.62 g/mol, XLogP of 13.44, 16 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;benzene;methane;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethyl-7-[phenyl(2,2,2-trifluoroethoxy)methyl]pyrazolo[4,3-b]pyridine;3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridine-7-carbaldehyde;[3-(2-methoxy-4-pyrazol-1-ylphenyl)-1,5-dimethylpyrazolo[4,3-b]pyridin-7-yl]-phenylmethanol;oxolane;2,2,2-trifluoroethanol is sourced from PubChem (CID 161000769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).