1-[4-(1,1-difluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;6-(1,1-difluoroethyl)-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;4-fluoro-5-methyl-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;1-phenyl-8-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

C143H115F21N30O11 — CID 159134948

About 1-[4-(1,1-difluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;6-(1,1-difluoroethyl)-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;4-fluoro-5-methyl-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;1-phenyl-8-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

1-[4-(1,1-difluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;6-(1,1-difluoroethyl)-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;4-fluoro-5-methyl-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;1-phenyl-8-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 159134948) has the molecular formula C143H115F21N30O11 and a molecular weight of 2828.65 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;6-(1,1-difluoroethyl)-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;4-fluoro-5-methyl-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;1-phenyl-8-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

• Compound Name: 1-[4-(1,1-difluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;6-(1,1-difluoroethyl)-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;4-fluoro-5-methyl-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;1-phenyl-8-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
• PubChem CID: 159134948
• Molecular Formula: C143H115F21N30O11
• Molecular Weight: 2828.65 g/mol
• Exact Mass: 2826.90
• IUPAC Name: 1-[4-(1,1-difluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;6-(1,1-difluoroethyl)-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;4-fluoro-5-methyl-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;1-phenyl-8-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
• SMILES: CC(F)(F)Oc1ccc(N2CNC(=O)C23CCN(C(=O)c2cc(-c4ccncc4)n(-c4ccc(C(F)(F)F)c(F)c4)n2)CC3)cc1.CC(F)(F)c1ccc2c(c1)[nH]c(=O)n2C1CCN(C(=O)c2cc(-c3ccncc3)n(-c3cc(F)c(F)c(F)c3)n2)CC1.Cc1ccc2[nH]c(=O)n(C3CCN(C(=O)c4cc(-c5ccncc5)n(-c5cc(F)c(F)c(F)c5)n4)CC3)c2c1F.O=C(c1cc(-c2ccncc2)n(-c2cc(F)c(F)c(F)c2)n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=C(c1cc(-c2ccncc2)n(-c2cc(F)c(F)c(F)c2)n1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
• InChI: InChI=1S/C31H26F6N6O3.C29H23F5N6O2.C28H22F4N6O2.C28H23F3N6O2.C27H21F3N6O2/c1-29(33,34)46-22-5-2-20(3-6-22)42-18-39-28(45)30(42)10-14-41(15-11-30)27(44)25-17-26(19-8-12-38-13-9-19)43(40-25)21-4-7-23(24(32)16-21)31(35,36)37;1-29(33,34)17-2-3-24-22(12-17)36-28(42)39(24)18-6-10-38(11-7-18)27(41)23-15-25(16-4-8-35-9-5-16)40(37-23)19-13-20(30)26(32)21(31)14-19;1-15-2-3-21-26(24(15)31)37(28(40)34-21)17-6-10-36(11-7-17)27(39)22-14-23(16-4-8-33-9-5-16)38(35-22)18-12-19(29)25(32)20(30)13-18;29-21-14-20(15-22(30)25(21)31)37-24(18-6-10-32-11-7-18)16-23(34-37)26(38)35-12-8-28(9-13-35)27(39)33-17-36(28)19-4-2-1-3-5-19;28-19-13-18(14-20(29)25(19)30)36-24(16-5-9-31-10-6-16)15-22(33-36)26(37)34-11-7-17(8-12-34)35-23-4-2-1-3-21(23)32-27(35)38/h2-9,12-13,16-17H,10-11,14-15,18H2,1H3,(H,39,45);2-5,8-9,12-15,18H,6-7,10-11H2,1H3,(H,36,42);2-5,8-9,12-14,17H,6-7,10-11H2,1H3,(H,34,40);1-7,10-11,14-16H,8-9,12-13,17H2,(H,33,39);1-6,9-10,13-15,17H,7-8,11-12H2,(H,32,38)
• InChIKey: KHJHMEGWXGUZKA-UHFFFAOYSA-N
• XLogP: 24.55
• TPSA: 442.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2828.65
LogP ≤ 5	24.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;6-(1,1-difluoroethyl)-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;4-fluoro-5-methyl-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;1-phenyl-8-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?

The IUPAC name of 1-[4-(1,1-difluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;6-(1,1-difluoroethyl)-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;4-fluoro-5-methyl-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;1-phenyl-8-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 159134948) is 1-[4-(1,1-difluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;6-(1,1-difluoroethyl)-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;4-fluoro-5-methyl-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;1-phenyl-8-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.

What is the SMILES notation for 1-[4-(1,1-difluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;6-(1,1-difluoroethyl)-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;4-fluoro-5-methyl-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;1-phenyl-8-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?

The canonical SMILES for 1-[4-(1,1-difluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;6-(1,1-difluoroethyl)-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;4-fluoro-5-methyl-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;1-phenyl-8-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is CC(F)(F)Oc1ccc(N2CNC(=O)C23CCN(C(=O)c2cc(-c4ccncc4)n(-c4ccc(C(F)(F)F)c(F)c4)n2)CC3)cc1.CC(F)(F)c1ccc2c(c1)[nH]c(=O)n2C1CCN(C(=O)c2cc(-c3ccncc3)n(-c3cc(F)c(F)c(F)c3)n2)CC1.Cc1ccc2[nH]c(=O)n(C3CCN(C(=O)c4cc(-c5ccncc5)n(-c5cc(F)c(F)c(F)c5)n4)CC3)c2c1F.O=C(c1cc(-c2ccncc2)n(-c2cc(F)c(F)c(F)c2)n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=C(c1cc(-c2ccncc2)n(-c2cc(F)c(F)c(F)c2)n1)N1CCC2(CC1)C(=O)NCN2c1ccccc1.

What is the InChIKey of 1-[4-(1,1-difluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;6-(1,1-difluoroethyl)-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;4-fluoro-5-methyl-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;1-phenyl-8-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?

The InChIKey is KHJHMEGWXGUZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F6N6O3.C29H23F5N6O2.C28H22F4N6O2.C28H23F3N6O2.C27H21F3N6O2/c1-29(33,34)46-22-5-2-20(3-6-22)42-18-39-28(45)30(42)10-14-41(15-11-30)27(44)25-17-26(19-8-12-38-13-9-19)43(40-25)21-4-7-23(24(32)16-21)31(35,36)37;1-29(33,34)17-2-3-24-22(12-17)36-28(42)39(24)18-6-10-38(11-7-18)27(41)23-15-25(16-4-8-35-9-5-16)40(37-23)19-13-20(30)26(32)21(31)14-19;1-15-2-3-21-26(24(15)31)37(28(40)34-21)17-6-10-36(11-7-17)27(39)22-14-23(16-4-8-33-9-5-16)38(35-22)18-12-19(29)25(32)20(30)13-18;29-21-14-20(15-22(30)25(21)31)37-24(18-6-10-32-11-7-18)16-23(34-37)26(38)35-12-8-28(9-13-35)27(39)33-17-36(28)19-4-2-1-3-5-19;28-19-13-18(14-20(29)25(19)30)36-24(16-5-9-31-10-6-16)15-22(33-36)26(37)34-11-7-17(8-12-34)35-23-4-2-1-3-21(23)32-27(35)38/h2-9,12-13,16-17H,10-11,14-15,18H2,1H3,(H,39,45);2-5,8-9,12-15,18H,6-7,10-11H2,1H3,(H,36,42);2-5,8-9,12-14,17H,6-7,10-11H2,1H3,(H,34,40);1-7,10-11,14-16H,8-9,12-13,17H2,(H,33,39);1-6,9-10,13-15,17H,7-8,11-12H2,(H,32,38).

What are the key properties of 1-[4-(1,1-difluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;6-(1,1-difluoroethyl)-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;4-fluoro-5-methyl-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;1-phenyl-8-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?

1-[4-(1,1-difluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;6-(1,1-difluoroethyl)-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;4-fluoro-5-methyl-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;1-phenyl-8-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 2828.65 g/mol, XLogP of 24.55, 23 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(1,1-difluoroethoxy)phenyl]-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;6-(1,1-difluoroethyl)-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;4-fluoro-5-methyl-3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;1-phenyl-8-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,3,8-triazaspiro[4.5]decan-4-one;3-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 159134948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).