3-(1,1-difluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;3-[(2-ethenylphenoxy)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-[(2-ethenylphenyl)methoxy]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-(1-fluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one

C97H95F10N19O8 — CID 159946214

About 3-(1,1-difluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;3-[(2-ethenylphenoxy)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-[(2-ethenylphenyl)methoxy]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-(1-fluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one

3-(1,1-difluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;3-[(2-ethenylphenoxy)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-[(2-ethenylphenyl)methoxy]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-(1-fluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one (PubChem CID 159946214) has the molecular formula C97H95F10N19O8 and a molecular weight of 1844.93 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;3-[(2-ethenylphenoxy)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-[(2-ethenylphenyl)methoxy]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-(1-fluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one.

Molecular Properties

• Compound Name: 3-(1,1-difluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;3-[(2-ethenylphenoxy)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-[(2-ethenylphenyl)methoxy]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-(1-fluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one
• PubChem CID: 159946214
• Molecular Formula: C97H95F10N19O8
• Molecular Weight: 1844.93 g/mol
• Exact Mass: 1843.75
• IUPAC Name: 3-(1,1-difluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;3-[(2-ethenylphenoxy)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-[(2-ethenylphenyl)methoxy]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-(1-fluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one
• SMILES: C=Cc1ccccc1COc1cccnc1-c1ccnn1C(C)C.C=Cc1ccccc1OCc1cccnc1-c1ccnn1C(C)C.CC(C)n1nccc1-c1ncccc1COc1ccc(F)c2c1C(=O)CC2.CC(F)c1nn(C)c(OCc2cccnc2-c2ccnn2CC(F)(F)F)c1C=O.Cn1nc(C(C)(F)F)c(C=O)c1OCc1cccnc1-c1ccnn1CC(F)(F)F
• InChI: InChI=1S/C21H20FN3O2.2C20H21N3O.C18H16F5N5O2.C18H17F4N5O2/c1-13(2)25-17(9-11-24-25)21-14(4-3-10-23-21)12-27-19-8-6-16(22)15-5-7-18(26)20(15)19;1-4-16-8-5-6-10-19(16)24-14-17-9-7-12-21-20(17)18-11-13-22-23(18)15(2)3;1-4-16-8-5-6-9-17(16)14-24-19-10-7-12-21-20(19)18-11-13-22-23(18)15(2)3;1-17(19,20)15-12(8-29)16(27(2)26-15)30-9-11-4-3-6-24-14(11)13-5-7-25-28(13)10-18(21,22)23;1-11(19)15-13(8-28)17(26(2)25-15)29-9-12-4-3-6-23-16(12)14-5-7-24-27(14)10-18(20,21)22/h3-4,6,8-11,13H,5,7,12H2,1-2H3;2*4-13,15H,1,14H2,2-3H3;3-8H,9-10H2,1-2H3;3-8,11H,9-10H2,1-2H3
• InChIKey: OBNDIHGLVNZMIS-UHFFFAOYSA-N
• XLogP: 21.28
• TPSA: 286.55 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1844.93
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;3-[(2-ethenylphenoxy)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-[(2-ethenylphenyl)methoxy]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-(1-fluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one?

The IUPAC name of 3-(1,1-difluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;3-[(2-ethenylphenoxy)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-[(2-ethenylphenyl)methoxy]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-(1-fluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one (CID 159946214) is 3-(1,1-difluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;3-[(2-ethenylphenoxy)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-[(2-ethenylphenyl)methoxy]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-(1-fluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one.

What is the SMILES notation for 3-(1,1-difluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;3-[(2-ethenylphenoxy)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-[(2-ethenylphenyl)methoxy]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-(1-fluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one?

The canonical SMILES for 3-(1,1-difluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;3-[(2-ethenylphenoxy)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-[(2-ethenylphenyl)methoxy]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-(1-fluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one is C=Cc1ccccc1COc1cccnc1-c1ccnn1C(C)C.C=Cc1ccccc1OCc1cccnc1-c1ccnn1C(C)C.CC(C)n1nccc1-c1ncccc1COc1ccc(F)c2c1C(=O)CC2.CC(F)c1nn(C)c(OCc2cccnc2-c2ccnn2CC(F)(F)F)c1C=O.Cn1nc(C(C)(F)F)c(C=O)c1OCc1cccnc1-c1ccnn1CC(F)(F)F.

What is the InChIKey of 3-(1,1-difluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;3-[(2-ethenylphenoxy)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-[(2-ethenylphenyl)methoxy]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-(1-fluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one?

The InChIKey is OBNDIHGLVNZMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2.2C20H21N3O.C18H16F5N5O2.C18H17F4N5O2/c1-13(2)25-17(9-11-24-25)21-14(4-3-10-23-21)12-27-19-8-6-16(22)15-5-7-18(26)20(15)19;1-4-16-8-5-6-10-19(16)24-14-17-9-7-12-21-20(17)18-11-13-22-23(18)15(2)3;1-4-16-8-5-6-9-17(16)14-24-19-10-7-12-21-20(19)18-11-13-22-23(18)15(2)3;1-17(19,20)15-12(8-29)16(27(2)26-15)30-9-11-4-3-6-24-14(11)13-5-7-25-28(13)10-18(21,22)23;1-11(19)15-13(8-28)17(26(2)25-15)29-9-12-4-3-6-23-16(12)14-5-7-24-27(14)10-18(20,21)22/h3-4,6,8-11,13H,5,7,12H2,1-2H3;2*4-13,15H,1,14H2,2-3H3;3-8H,9-10H2,1-2H3;3-8,11H,9-10H2,1-2H3.

What are the key properties of 3-(1,1-difluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;3-[(2-ethenylphenoxy)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-[(2-ethenylphenyl)methoxy]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-(1-fluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one?

3-(1,1-difluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;3-[(2-ethenylphenoxy)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-[(2-ethenylphenyl)methoxy]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-(1-fluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one has a molecular weight of 1844.93 g/mol, XLogP of 21.28, 31 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1-difluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;3-[(2-ethenylphenoxy)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-[(2-ethenylphenyl)methoxy]-2-(2-propan-2-ylpyrazol-3-yl)pyridine;3-(1-fluoroethyl)-1-methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyrazole-4-carbaldehyde;4-fluoro-7-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 159946214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).