4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2,4-difluoroaniline;6,8-difluoro-3-methyl-2,3,4,9-tetrahydro-1H-fluorene;(2,4-difluorophenyl)hydrazine;6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-amine;N-[(3R)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;2,2,2-trifluoroacetaldehyde

C114H111ClF19N21O2S — CID 161210766

About 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2,4-difluoroaniline;6,8-difluoro-3-methyl-2,3,4,9-tetrahydro-1H-fluorene;(2,4-difluorophenyl)hydrazine;6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-amine;N-[(3R)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;2,2,2-trifluoroacetaldehyde

4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2,4-difluoroaniline;6,8-difluoro-3-methyl-2,3,4,9-tetrahydro-1H-fluorene;(2,4-difluorophenyl)hydrazine;6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-amine;N-[(3R)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;2,2,2-trifluoroacetaldehyde (PubChem CID 161210766) has the molecular formula C114H111ClF19N21O2S and a molecular weight of 2235.77 g/mol. Its IUPAC name is 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2,4-difluoroaniline;6,8-difluoro-3-methyl-2,3,4,9-tetrahydro-1H-fluorene;(2,4-difluorophenyl)hydrazine;6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-amine;N-[(3R)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2,4-difluoroaniline;6,8-difluoro-3-methyl-2,3,4,9-tetrahydro-1H-fluorene;(2,4-difluorophenyl)hydrazine;6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-amine;N-[(3R)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;2,2,2-trifluoroacetaldehyde
• PubChem CID: 161210766
• Molecular Formula: C114H111ClF19N21O2S
• Molecular Weight: 2235.77 g/mol
• Exact Mass: 2233.83
• IUPAC Name: 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2,4-difluoroaniline;6,8-difluoro-3-methyl-2,3,4,9-tetrahydro-1H-fluorene;(2,4-difluorophenyl)hydrazine;6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-amine;N-[(3R)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;2,2,2-trifluoroacetaldehyde
• SMILES: CC(C)c1cnn2c(Cl)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(NC3CCC4=C(C3)c3cc(F)cc(F)c3C4)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3cc(F)cc(F)c3C4)nc(-c3cncc(F)c3)nc12.CC1CCC(=O)CC1.CC1CCC2=C(C1)c1cc(F)cc(F)c1C2.CSF.NC1CCC2=C(C1)c1cc(F)cc(F)c1C2.NNc1ccc(F)cc1F.Nc1ccc(F)cc1F.O=CC(F)(F)F
• InChI: InChI=1S/2C26H23F3N6.C14H14F2.C13H11ClFN5.C13H13F2N.C7H12O.C6H6F2N2.C6H5F2N.C2HF3O.CH3FS/c2*1-13(2)22-12-31-35-25(22)33-24(15-5-17(28)11-30-10-15)34-26(35)32-18-4-3-14-6-21-20(19(14)9-18)7-16(27)8-23(21)29;1-8-2-3-9-5-13-12(11(9)4-8)6-10(15)7-14(13)16;1-7(2)10-6-17-20-12(10)18-11(19-13(20)14)8-3-9(15)5-16-4-8;14-8-4-11-10-6-9(16)2-1-7(10)3-12(11)13(15)5-8;1-6-2-4-7(8)5-3-6;7-4-1-2-6(10-9)5(8)3-4;7-4-1-2-6(9)5(8)3-4;3-2(4,5)1-6;1-3-2/h2*5,7-8,10-13,18H,3-4,6,9H2,1-2H3,(H,32,33,34);6-8H,2-5H2,1H3;3-7H,1-2H3;4-5,9H,1-3,6,16H2;6H,2-5H2,1H3;1-3,10H,9H2;1-3H,9H2;1H;1H3/t18-;;;;;;;;;/m1........./s1
• InChIKey: UWEVHKSQZYWWHZ-RJYOUJLLSA-N
• XLogP: 27.93
• TPSA: 316.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 11
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2235.77
LogP ≤ 5	27.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2,4-difluoroaniline;6,8-difluoro-3-methyl-2,3,4,9-tetrahydro-1H-fluorene;(2,4-difluorophenyl)hydrazine;6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-amine;N-[(3R)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2,4-difluoroaniline;6,8-difluoro-3-methyl-2,3,4,9-tetrahydro-1H-fluorene;(2,4-difluorophenyl)hydrazine;6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-amine;N-[(3R)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;2,2,2-trifluoroacetaldehyde (CID 161210766) is 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2,4-difluoroaniline;6,8-difluoro-3-methyl-2,3,4,9-tetrahydro-1H-fluorene;(2,4-difluorophenyl)hydrazine;6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-amine;N-[(3R)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2,4-difluoroaniline;6,8-difluoro-3-methyl-2,3,4,9-tetrahydro-1H-fluorene;(2,4-difluorophenyl)hydrazine;6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-amine;N-[(3R)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2,4-difluoroaniline;6,8-difluoro-3-methyl-2,3,4,9-tetrahydro-1H-fluorene;(2,4-difluorophenyl)hydrazine;6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-amine;N-[(3R)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;2,2,2-trifluoroacetaldehyde is CC(C)c1cnn2c(Cl)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(NC3CCC4=C(C3)c3cc(F)cc(F)c3C4)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3cc(F)cc(F)c3C4)nc(-c3cncc(F)c3)nc12.CC1CCC(=O)CC1.CC1CCC2=C(C1)c1cc(F)cc(F)c1C2.CSF.NC1CCC2=C(C1)c1cc(F)cc(F)c1C2.NNc1ccc(F)cc1F.Nc1ccc(F)cc1F.O=CC(F)(F)F.

What is the InChIKey of 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2,4-difluoroaniline;6,8-difluoro-3-methyl-2,3,4,9-tetrahydro-1H-fluorene;(2,4-difluorophenyl)hydrazine;6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-amine;N-[(3R)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;2,2,2-trifluoroacetaldehyde?

The InChIKey is UWEVHKSQZYWWHZ-RJYOUJLLSA-N. The full InChI is InChI=1S/2C26H23F3N6.C14H14F2.C13H11ClFN5.C13H13F2N.C7H12O.C6H6F2N2.C6H5F2N.C2HF3O.CH3FS/c2*1-13(2)22-12-31-35-25(22)33-24(15-5-17(28)11-30-10-15)34-26(35)32-18-4-3-14-6-21-20(19(14)9-18)7-16(27)8-23(21)29;1-8-2-3-9-5-13-12(11(9)4-8)6-10(15)7-14(13)16;1-7(2)10-6-17-20-12(10)18-11(19-13(20)14)8-3-9(15)5-16-4-8;14-8-4-11-10-6-9(16)2-1-7(10)3-12(11)13(15)5-8;1-6-2-4-7(8)5-3-6;7-4-1-2-6(10-9)5(8)3-4;7-4-1-2-6(9)5(8)3-4;3-2(4,5)1-6;1-3-2/h2*5,7-8,10-13,18H,3-4,6,9H2,1-2H3,(H,32,33,34);6-8H,2-5H2,1H3;3-7H,1-2H3;4-5,9H,1-3,6,16H2;6H,2-5H2,1H3;1-3,10H,9H2;1-3H,9H2;1H;1H3/t18-;;;;;;;;;/m1........./s1.

What are the key properties of 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2,4-difluoroaniline;6,8-difluoro-3-methyl-2,3,4,9-tetrahydro-1H-fluorene;(2,4-difluorophenyl)hydrazine;6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-amine;N-[(3R)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;2,2,2-trifluoroacetaldehyde?

4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2,4-difluoroaniline;6,8-difluoro-3-methyl-2,3,4,9-tetrahydro-1H-fluorene;(2,4-difluorophenyl)hydrazine;6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-amine;N-[(3R)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;2,2,2-trifluoroacetaldehyde has a molecular weight of 2235.77 g/mol, XLogP of 27.93, 11 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2,4-difluoroaniline;6,8-difluoro-3-methyl-2,3,4,9-tetrahydro-1H-fluorene;(2,4-difluorophenyl)hydrazine;6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-amine;N-[(3R)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 161210766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).