[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone

C118H95F21N24O4 — CID 161126178

About [1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone

[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone (PubChem CID 161126178) has the molecular formula C118H95F21N24O4 and a molecular weight of 2312.18 g/mol. Its IUPAC name is [1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone.

Molecular Properties

• Compound Name: [1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone
• PubChem CID: 161126178
• Molecular Formula: C118H95F21N24O4
• Molecular Weight: 2312.18 g/mol
• Exact Mass: 2310.76
• IUPAC Name: [1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone
• SMILES: C=C1NCN(c2ccc(F)c(F)c2)C12CCN(C(=O)c1cc(-c3cccnc3)n(-c3cc(F)c(F)c(F)c3)n1)CC2.C=C1NCN(c2ccc(F)c(F)c2)C12CCN(C(=O)c1cc(-c3cccnc3)n(-c3ccc(C(F)(F)F)c(F)c3)n1)CC2.C=C1NCN(c2ccc(F)cc2)C12CCN(C(=O)c1cc(-c3cccnc3)n(-c3cc(F)c(C(F)(F)F)c(F)c3)n1)CC2.C=C1NCN(c2ccc(F)cc2)C12CCN(C(=O)c1cc(-c3cccnc3)n(-c3cc(F)c(F)c(F)c3)n1)CC2
• InChI: InChI=1S/2C30H24F6N6O.C29H23F5N6O.C29H24F4N6O/c1-18-29(41(17-38-18)20-5-7-23(31)25(33)13-20)8-11-40(12-9-29)28(43)26-15-27(19-3-2-10-37-16-19)42(39-26)21-4-6-22(24(32)14-21)30(34,35)36;1-18-29(41(17-38-18)21-6-4-20(31)5-7-21)8-11-40(12-9-29)28(43)25-15-26(19-3-2-10-37-16-19)42(39-25)22-13-23(32)27(24(33)14-22)30(34,35)36;1-17-29(39(16-36-17)19-4-5-21(30)22(31)11-19)6-9-38(10-7-29)28(41)25-14-26(18-3-2-8-35-15-18)40(37-25)20-12-23(32)27(34)24(33)13-20;1-18-29(38(17-35-18)21-6-4-20(30)5-7-21)8-11-37(12-9-29)28(40)25-15-26(19-3-2-10-34-16-19)39(36-25)22-13-23(31)27(33)24(32)14-22/h2*2-7,10,13-16,38H,1,8-9,11-12,17H2;2-5,8,11-15,36H,1,6-7,9-10,16H2;2-7,10,13-16,35H,1,8-9,11-12,17H2
• InChIKey: ULOXDFHHBGVNEP-UHFFFAOYSA-N
• XLogP: 22.08
• TPSA: 265.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2312.18
LogP ≤ 5	22.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone?

The IUPAC name of [1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone (CID 161126178) is [1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone.

What is the SMILES notation for [1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone?

The canonical SMILES for [1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone is C=C1NCN(c2ccc(F)c(F)c2)C12CCN(C(=O)c1cc(-c3cccnc3)n(-c3cc(F)c(F)c(F)c3)n1)CC2.C=C1NCN(c2ccc(F)c(F)c2)C12CCN(C(=O)c1cc(-c3cccnc3)n(-c3ccc(C(F)(F)F)c(F)c3)n1)CC2.C=C1NCN(c2ccc(F)cc2)C12CCN(C(=O)c1cc(-c3cccnc3)n(-c3cc(F)c(C(F)(F)F)c(F)c3)n1)CC2.C=C1NCN(c2ccc(F)cc2)C12CCN(C(=O)c1cc(-c3cccnc3)n(-c3cc(F)c(F)c(F)c3)n1)CC2.

What is the InChIKey of [1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone?

The InChIKey is ULOXDFHHBGVNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H24F6N6O.C29H23F5N6O.C29H24F4N6O/c1-18-29(41(17-38-18)20-5-7-23(31)25(33)13-20)8-11-40(12-9-29)28(43)26-15-27(19-3-2-10-37-16-19)42(39-26)21-4-6-22(24(32)14-21)30(34,35)36;1-18-29(41(17-38-18)21-6-4-20(31)5-7-21)8-11-40(12-9-29)28(43)25-15-26(19-3-2-10-37-16-19)42(39-25)22-13-23(32)27(24(33)14-22)30(34,35)36;1-17-29(39(16-36-17)19-4-5-21(30)22(31)11-19)6-9-38(10-7-29)28(41)25-14-26(18-3-2-8-35-15-18)40(37-25)20-12-23(32)27(34)24(33)13-20;1-18-29(38(17-35-18)21-6-4-20(30)5-7-21)8-11-37(12-9-29)28(40)25-15-26(19-3-2-10-34-16-19)39(36-25)22-13-23(31)27(33)24(32)14-22/h2*2-7,10,13-16,38H,1,8-9,11-12,17H2;2-5,8,11-15,36H,1,6-7,9-10,16H2;2-7,10,13-16,35H,1,8-9,11-12,17H2.

What are the key properties of [1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone?

[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone has a molecular weight of 2312.18 g/mol, XLogP of 22.08, 16 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]methanone;[1-(3,4-difluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazol-3-yl]-[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]methanone;[1-(4-fluorophenyl)-4-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 161126178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).