8-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;8-[1-(3-fluoro-4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-(4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one

C157H139F14N27O12 — CID 158529040

About 8-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;8-[1-(3-fluoro-4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-(4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one

8-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;8-[1-(3-fluoro-4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-(4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one (PubChem CID 158529040) has the molecular formula C157H139F14N27O12 and a molecular weight of 2861.99 g/mol. Its IUPAC name is 8-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;8-[1-(3-fluoro-4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-(4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one.

Molecular Properties

• Compound Name: 8-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;8-[1-(3-fluoro-4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-(4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
• PubChem CID: 158529040
• Molecular Formula: C157H139F14N27O12
• Molecular Weight: 2861.99 g/mol
• Exact Mass: 2860.09
• IUPAC Name: 8-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;8-[1-(3-fluoro-4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-(4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
• SMILES: Cc1cc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(C(C)(C)C)cc4)n2)CC3)ccc1F.Cc1cc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(OC(F)(F)F)c(F)c4)n2)CC3)ccc1F.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(OC(F)(F)F)c(F)c4)n3)CC1)C(=O)C2.[C-]#[N+]c1ccc(-n2nc(C(=O)N3CCC4(CC3)C(=O)CCN4c3ccc(F)c(C)c3)cc2-c2cccnc2)cc1.[C-]#[N+]c1ccc(-n2nc(C(=O)N3CCC4(CC3)C(=O)CCN4c3ccc(F)c(C)c3)cc2-c2cccnc2)cc1F
• InChI: InChI=1S/C34H36FN5O2.C31H26F5N5O3.C31H26F2N6O2.C31H27FN6O2.C30H24F5N5O3/c1-23-20-27(11-12-28(23)35)39-17-13-31(41)34(39)14-18-38(19-15-34)32(42)29-21-30(24-6-5-16-36-22-24)40(37-29)26-9-7-25(8-10-26)33(2,3)4;1-19-15-21(4-6-23(19)32)40-12-8-28(42)30(40)9-13-39(14-10-30)29(43)25-17-26(20-3-2-11-37-18-20)41(38-25)22-5-7-27(24(33)16-22)44-31(34,35)36;1-20-16-22(5-7-24(20)32)38-13-9-29(40)31(38)10-14-37(15-11-31)30(41)27-18-28(21-4-3-12-35-19-21)39(36-27)23-6-8-26(34-2)25(33)17-23;1-21-18-25(9-10-26(21)32)37-15-11-29(39)31(37)12-16-36(17-13-31)30(40)27-19-28(22-4-3-14-34-20-22)38(35-27)24-7-5-23(33-2)6-8-24;1-17-4-5-18-13-26(41)39(28(18)27(17)32)20-8-11-38(12-9-20)29(42)23-15-24(19-3-2-10-36-16-19)40(37-23)21-6-7-25(22(31)14-21)43-30(33,34)35/h5-12,16,20-22H,13-15,17-19H2,1-4H3;2-7,11,15-18H,8-10,12-14H2,1H3;3-8,12,16-19H,9-11,13-15H2,1H3;3-10,14,18-20H,11-13,15-17H2,1H3;2-7,10,14-16,20H,8-9,11-13H2,1H3
• InChIKey: HNDHDUCKBDIWKW-UHFFFAOYSA-N
• XLogP: 28.53
• TPSA: 383.83 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2861.99
LogP ≤ 5	28.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;8-[1-(3-fluoro-4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-(4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one?

The IUPAC name of 8-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;8-[1-(3-fluoro-4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-(4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one (CID 158529040) is 8-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;8-[1-(3-fluoro-4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-(4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one.

What is the SMILES notation for 8-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;8-[1-(3-fluoro-4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-(4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one?

The canonical SMILES for 8-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;8-[1-(3-fluoro-4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-(4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one is Cc1cc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(C(C)(C)C)cc4)n2)CC3)ccc1F.Cc1cc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4cccnc4)n(-c4ccc(OC(F)(F)F)c(F)c4)n2)CC3)ccc1F.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(OC(F)(F)F)c(F)c4)n3)CC1)C(=O)C2.[C-]#[N+]c1ccc(-n2nc(C(=O)N3CCC4(CC3)C(=O)CCN4c3ccc(F)c(C)c3)cc2-c2cccnc2)cc1.[C-]#[N+]c1ccc(-n2nc(C(=O)N3CCC4(CC3)C(=O)CCN4c3ccc(F)c(C)c3)cc2-c2cccnc2)cc1F.

What is the InChIKey of 8-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;8-[1-(3-fluoro-4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-(4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one?

The InChIKey is HNDHDUCKBDIWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36FN5O2.C31H26F5N5O3.C31H26F2N6O2.C31H27FN6O2.C30H24F5N5O3/c1-23-20-27(11-12-28(23)35)39-17-13-31(41)34(39)14-18-38(19-15-34)32(42)29-21-30(24-6-5-16-36-22-24)40(37-29)26-9-7-25(8-10-26)33(2,3)4;1-19-15-21(4-6-23(19)32)40-12-8-28(42)30(40)9-13-39(14-10-30)29(43)25-17-26(20-3-2-11-37-18-20)41(38-25)22-5-7-27(24(33)16-22)44-31(34,35)36;1-20-16-22(5-7-24(20)32)38-13-9-29(40)31(38)10-14-37(15-11-31)30(41)27-18-28(21-4-3-12-35-19-21)39(36-27)23-6-8-26(34-2)25(33)17-23;1-21-18-25(9-10-26(21)32)37-15-11-29(39)31(37)12-16-36(17-13-31)30(40)27-19-28(22-4-3-14-34-20-22)38(35-27)24-7-5-23(33-2)6-8-24;1-17-4-5-18-13-26(41)39(28(18)27(17)32)20-8-11-38(12-9-20)29(42)23-15-24(19-3-2-10-36-16-19)40(37-23)21-6-7-25(22(31)14-21)43-30(33,34)35/h5-12,16,20-22H,13-15,17-19H2,1-4H3;2-7,11,15-18H,8-10,12-14H2,1H3;3-8,12,16-19H,9-11,13-15H2,1H3;3-10,14,18-20H,11-13,15-17H2,1H3;2-7,10,14-16,20H,8-9,11-13H2,1H3.

What are the key properties of 8-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;8-[1-(3-fluoro-4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-(4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one?

8-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;8-[1-(3-fluoro-4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-(4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one has a molecular weight of 2861.99 g/mol, XLogP of 28.53, 22 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(4-tert-butylphenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-1-[1-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-3H-indol-2-one;8-[1-(3-fluoro-4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluoro-3-methylphenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-3-methylphenyl)-8-[1-(4-isocyanophenyl)-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 158529040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).