bis(8-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one);1-[1-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidin-4-yl]-3-methylbenzimidazol-2-one;8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-methyl-3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]benzimidazol-2-one

C145H127F13N30O10 — CID 158558863

About bis(8-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one);1-[1-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidin-4-yl]-3-methylbenzimidazol-2-one;8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-methyl-3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]benzimidazol-2-one

bis(8-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one);1-[1-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidin-4-yl]-3-methylbenzimidazol-2-one;8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-methyl-3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]benzimidazol-2-one (PubChem CID 158558863) has the molecular formula C145H127F13N30O10 and a molecular weight of 2696.78 g/mol. Its IUPAC name is bis(8-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one);1-[1-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidin-4-yl]-3-methylbenzimidazol-2-one;8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-methyl-3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]benzimidazol-2-one.

Molecular Properties

• Compound Name: bis(8-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one);1-[1-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidin-4-yl]-3-methylbenzimidazol-2-one;8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-methyl-3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]benzimidazol-2-one
• PubChem CID: 158558863
• Molecular Formula: C145H127F13N30O10
• Molecular Weight: 2696.78 g/mol
• Exact Mass: 2695.01
• IUPAC Name: bis(8-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one);1-[1-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidin-4-yl]-3-methylbenzimidazol-2-one;8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-methyl-3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]benzimidazol-2-one
• SMILES: Cc1ccc(N2CNC(=O)C23CCN(C(=O)c2cc(-c4ccncc4)n(-c4ccc(C(F)(F)F)c(F)c4)n2)CC3)cc1.Cc1ccc(N2CNC(=O)C23CCN(C(=O)c2cc(-c4ccncc4)n(-c4ccc(F)c(F)c4)n2)CC3)cc1.Cc1ccc(N2CNC(=O)C23CCN(C(=O)c2cc(-c4ccncc4)n(-c4ccc(F)c(F)c4)n2)CC3)cc1.Cn1c(=O)n(C2CCN(C(=O)c3cc(-c4ccncc4)n(-c4ccc(C(F)(F)F)cc4)n3)CC2)c2ccccc21.Cn1c(=O)n(C2CCN(C(=O)c3cc(-c4ccncc4)n(-c4ccc(F)c(F)c4)n3)CC2)c2ccccc21
• InChI: InChI=1S/C30H26F4N6O2.C29H25F3N6O2.2C29H26F2N6O2.C28H24F2N6O2/c1-19-2-4-21(5-3-19)39-18-36-28(42)29(39)10-14-38(15-11-29)27(41)25-17-26(20-8-12-35-13-9-20)40(37-25)22-6-7-23(24(31)16-22)30(32,33)34;1-35-24-4-2-3-5-25(24)37(28(35)40)21-12-16-36(17-13-21)27(39)23-18-26(19-10-14-33-15-11-19)38(34-23)22-8-6-20(7-9-22)29(30,31)32;2*1-19-2-4-21(5-3-19)36-18-33-28(39)29(36)10-14-35(15-11-29)27(38)25-17-26(20-8-12-32-13-9-20)37(34-25)22-6-7-23(30)24(31)16-22;1-33-24-4-2-3-5-25(24)35(28(33)38)19-10-14-34(15-11-19)27(37)23-17-26(18-8-12-31-13-9-18)36(32-23)20-6-7-21(29)22(30)16-20/h2-9,12-13,16-17H,10-11,14-15,18H2,1H3,(H,36,42);2-11,14-15,18,21H,12-13,16-17H2,1H3;2*2-9,12-13,16-17H,10-11,14-15,18H2,1H3,(H,33,39);2-9,12-13,16-17,19H,10-11,14-15H2,1H3
• InChIKey: HQQBRJXCWMDCRU-UHFFFAOYSA-N
• XLogP: 22.58
• TPSA: 405.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2696.78
LogP ≤ 5	22.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of bis(8-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one);1-[1-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidin-4-yl]-3-methylbenzimidazol-2-one;8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-methyl-3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]benzimidazol-2-one?

The IUPAC name of bis(8-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one);1-[1-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidin-4-yl]-3-methylbenzimidazol-2-one;8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-methyl-3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]benzimidazol-2-one (CID 158558863) is bis(8-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one);1-[1-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidin-4-yl]-3-methylbenzimidazol-2-one;8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-methyl-3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]benzimidazol-2-one.

What is the SMILES notation for bis(8-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one);1-[1-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidin-4-yl]-3-methylbenzimidazol-2-one;8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-methyl-3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]benzimidazol-2-one?

The canonical SMILES for bis(8-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one);1-[1-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidin-4-yl]-3-methylbenzimidazol-2-one;8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-methyl-3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]benzimidazol-2-one is Cc1ccc(N2CNC(=O)C23CCN(C(=O)c2cc(-c4ccncc4)n(-c4ccc(C(F)(F)F)c(F)c4)n2)CC3)cc1.Cc1ccc(N2CNC(=O)C23CCN(C(=O)c2cc(-c4ccncc4)n(-c4ccc(F)c(F)c4)n2)CC3)cc1.Cc1ccc(N2CNC(=O)C23CCN(C(=O)c2cc(-c4ccncc4)n(-c4ccc(F)c(F)c4)n2)CC3)cc1.Cn1c(=O)n(C2CCN(C(=O)c3cc(-c4ccncc4)n(-c4ccc(C(F)(F)F)cc4)n3)CC2)c2ccccc21.Cn1c(=O)n(C2CCN(C(=O)c3cc(-c4ccncc4)n(-c4ccc(F)c(F)c4)n3)CC2)c2ccccc21.

What is the InChIKey of bis(8-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one);1-[1-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidin-4-yl]-3-methylbenzimidazol-2-one;8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-methyl-3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]benzimidazol-2-one?

The InChIKey is HQQBRJXCWMDCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F4N6O2.C29H25F3N6O2.2C29H26F2N6O2.C28H24F2N6O2/c1-19-2-4-21(5-3-19)39-18-36-28(42)29(39)10-14-38(15-11-29)27(41)25-17-26(20-8-12-35-13-9-20)40(37-25)22-6-7-23(24(31)16-22)30(32,33)34;1-35-24-4-2-3-5-25(24)37(28(35)40)21-12-16-36(17-13-21)27(39)23-18-26(19-10-14-33-15-11-19)38(34-23)22-8-6-20(7-9-22)29(30,31)32;2*1-19-2-4-21(5-3-19)36-18-33-28(39)29(36)10-14-35(15-11-29)27(38)25-17-26(20-8-12-32-13-9-20)37(34-25)22-6-7-23(30)24(31)16-22;1-33-24-4-2-3-5-25(24)35(28(33)38)19-10-14-34(15-11-19)27(37)23-17-26(18-8-12-31-13-9-18)36(32-23)20-6-7-21(29)22(30)16-20/h2-9,12-13,16-17H,10-11,14-15,18H2,1H3,(H,36,42);2-11,14-15,18,21H,12-13,16-17H2,1H3;2*2-9,12-13,16-17H,10-11,14-15,18H2,1H3,(H,33,39);2-9,12-13,16-17,19H,10-11,14-15H2,1H3.

What are the key properties of bis(8-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one);1-[1-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidin-4-yl]-3-methylbenzimidazol-2-one;8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-methyl-3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]benzimidazol-2-one?

bis(8-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one);1-[1-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidin-4-yl]-3-methylbenzimidazol-2-one;8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-methyl-3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]benzimidazol-2-one has a molecular weight of 2696.78 g/mol, XLogP of 22.58, 20 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for bis(8-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one);1-[1-[1-(3,4-difluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]piperidin-4-yl]-3-methylbenzimidazol-2-one;8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-methyl-3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]benzimidazol-2-one is sourced from PubChem (CID 158558863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).