1-(4-fluoro-2-methoxyphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-6-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;[4-(7-fluoro-6-methyl-2-sulfanylidene-3H-indol-1-yl)piperidin-1-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-7-(trifluoromethyl)-3H-indol-2-one;1-(4-iodophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one

C149H119F23IN25O10S — CID 161338702

About 1-(4-fluoro-2-methoxyphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-6-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;[4-(7-fluoro-6-methyl-2-sulfanylidene-3H-indol-1-yl)piperidin-1-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-7-(trifluoromethyl)-3H-indol-2-one;1-(4-iodophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one

1-(4-fluoro-2-methoxyphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-6-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;[4-(7-fluoro-6-methyl-2-sulfanylidene-3H-indol-1-yl)piperidin-1-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-7-(trifluoromethyl)-3H-indol-2-one;1-(4-iodophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one (PubChem CID 161338702) has the molecular formula C149H119F23IN25O10S and a molecular weight of 3015.68 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-6-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;[4-(7-fluoro-6-methyl-2-sulfanylidene-3H-indol-1-yl)piperidin-1-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-7-(trifluoromethyl)-3H-indol-2-one;1-(4-iodophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one.

Molecular Properties

• Compound Name: 1-(4-fluoro-2-methoxyphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-6-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;[4-(7-fluoro-6-methyl-2-sulfanylidene-3H-indol-1-yl)piperidin-1-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-7-(trifluoromethyl)-3H-indol-2-one;1-(4-iodophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
• PubChem CID: 161338702
• Molecular Formula: C149H119F23IN25O10S
• Molecular Weight: 3015.68 g/mol
• Exact Mass: 3013.80
• IUPAC Name: 1-(4-fluoro-2-methoxyphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-6-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;[4-(7-fluoro-6-methyl-2-sulfanylidene-3H-indol-1-yl)piperidin-1-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-7-(trifluoromethyl)-3H-indol-2-one;1-(4-iodophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
• SMILES: COc1cc(F)ccc1N1CCC(=O)C12CCN(C(=O)c1cc(-c3cccnc3)n(-c3ccc(C(F)(F)F)c(F)c3)n1)CC2.Cc1ccc2c(c1C(F)(F)F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(C(F)(F)F)c(F)c4)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4cc(F)c(F)c(F)c4)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4cc(F)c(F)c(F)c4)n3)CC1)C(=S)C2.O=C(c1cc(-c2cccnc2)n(-c2cc(F)c(F)c(F)c2)n1)N1CCC2(CC1)C(=O)CCN2c1ccc(I)cc1
• InChI: InChI=1S/C31H24F7N5O2.C31H26F5N5O3.C29H23F4N5O2.C29H23F4N5OS.C29H23F3IN5O2/c1-17-4-5-18-13-26(44)42(28(18)27(17)31(36,37)38)20-8-11-41(12-9-20)29(45)24-15-25(19-3-2-10-39-16-19)43(40-24)21-6-7-22(23(32)14-21)30(33,34)35;1-44-27-15-20(32)4-7-25(27)40-12-8-28(42)30(40)9-13-39(14-10-30)29(43)24-17-26(19-3-2-11-37-18-19)41(38-24)21-5-6-22(23(33)16-21)31(34,35)36;1-16-4-5-17-11-25(39)37(28(17)26(16)32)19-6-9-36(10-7-19)29(40)23-14-24(18-3-2-8-34-15-18)38(35-23)20-12-21(30)27(33)22(31)13-20;1-16-4-5-17-11-25(40)37(28(17)26(16)32)19-6-9-36(10-7-19)29(39)23-14-24(18-3-2-8-34-15-18)38(35-23)20-12-21(30)27(33)22(31)13-20;30-22-14-21(15-23(31)27(22)32)38-25(18-2-1-10-34-17-18)16-24(35-38)28(40)36-12-8-29(9-13-36)26(39)7-11-37(29)20-5-3-19(33)4-6-20/h2-7,10,14-16,20H,8-9,11-13H2,1H3;2-7,11,15-18H,8-10,12-14H2,1H3;2*2-5,8,12-15,19H,6-7,9-11H2,1H3;1-6,10,14-17H,7-9,11-13H2
• InChIKey: VMJPEKANUMACTC-UHFFFAOYSA-N
• XLogP: 28.50
• TPSA: 348.81 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3015.68
LogP ≤ 5	28.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-6-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;[4-(7-fluoro-6-methyl-2-sulfanylidene-3H-indol-1-yl)piperidin-1-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-7-(trifluoromethyl)-3H-indol-2-one;1-(4-iodophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one?

The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-6-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;[4-(7-fluoro-6-methyl-2-sulfanylidene-3H-indol-1-yl)piperidin-1-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-7-(trifluoromethyl)-3H-indol-2-one;1-(4-iodophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one (CID 161338702) is 1-(4-fluoro-2-methoxyphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-6-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;[4-(7-fluoro-6-methyl-2-sulfanylidene-3H-indol-1-yl)piperidin-1-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-7-(trifluoromethyl)-3H-indol-2-one;1-(4-iodophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one.

What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-6-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;[4-(7-fluoro-6-methyl-2-sulfanylidene-3H-indol-1-yl)piperidin-1-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-7-(trifluoromethyl)-3H-indol-2-one;1-(4-iodophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one?

The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-6-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;[4-(7-fluoro-6-methyl-2-sulfanylidene-3H-indol-1-yl)piperidin-1-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-7-(trifluoromethyl)-3H-indol-2-one;1-(4-iodophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one is COc1cc(F)ccc1N1CCC(=O)C12CCN(C(=O)c1cc(-c3cccnc3)n(-c3ccc(C(F)(F)F)c(F)c3)n1)CC2.Cc1ccc2c(c1C(F)(F)F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4ccc(C(F)(F)F)c(F)c4)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4cc(F)c(F)c(F)c4)n3)CC1)C(=O)C2.Cc1ccc2c(c1F)N(C1CCN(C(=O)c3cc(-c4cccnc4)n(-c4cc(F)c(F)c(F)c4)n3)CC1)C(=S)C2.O=C(c1cc(-c2cccnc2)n(-c2cc(F)c(F)c(F)c2)n1)N1CCC2(CC1)C(=O)CCN2c1ccc(I)cc1.

What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-6-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;[4-(7-fluoro-6-methyl-2-sulfanylidene-3H-indol-1-yl)piperidin-1-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-7-(trifluoromethyl)-3H-indol-2-one;1-(4-iodophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one?

The InChIKey is VMJPEKANUMACTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F7N5O2.C31H26F5N5O3.C29H23F4N5O2.C29H23F4N5OS.C29H23F3IN5O2/c1-17-4-5-18-13-26(44)42(28(18)27(17)31(36,37)38)20-8-11-41(12-9-20)29(45)24-15-25(19-3-2-10-39-16-19)43(40-24)21-6-7-22(23(32)14-21)30(33,34)35;1-44-27-15-20(32)4-7-25(27)40-12-8-28(42)30(40)9-13-39(14-10-30)29(43)24-17-26(19-3-2-11-37-18-19)41(38-24)21-5-6-22(23(33)16-21)31(34,35)36;1-16-4-5-17-11-25(39)37(28(17)26(16)32)19-6-9-36(10-7-19)29(40)23-14-24(18-3-2-8-34-15-18)38(35-23)20-12-21(30)27(33)22(31)13-20;1-16-4-5-17-11-25(40)37(28(17)26(16)32)19-6-9-36(10-7-19)29(39)23-14-24(18-3-2-8-34-15-18)38(35-23)20-12-21(30)27(33)22(31)13-20;30-22-14-21(15-23(31)27(22)32)38-25(18-2-1-10-34-17-18)16-24(35-38)28(40)36-12-8-29(9-13-36)26(39)7-11-37(29)20-5-3-19(33)4-6-20/h2-7,10,14-16,20H,8-9,11-13H2,1H3;2-7,11,15-18H,8-10,12-14H2,1H3;2*2-5,8,12-15,19H,6-7,9-11H2,1H3;1-6,10,14-17H,7-9,11-13H2.

What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-6-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;[4-(7-fluoro-6-methyl-2-sulfanylidene-3H-indol-1-yl)piperidin-1-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-7-(trifluoromethyl)-3H-indol-2-one;1-(4-iodophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one?

1-(4-fluoro-2-methoxyphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-6-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;[4-(7-fluoro-6-methyl-2-sulfanylidene-3H-indol-1-yl)piperidin-1-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-7-(trifluoromethyl)-3H-indol-2-one;1-(4-iodophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one has a molecular weight of 3015.68 g/mol, XLogP of 28.50, 21 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluoro-2-methoxyphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;7-fluoro-6-methyl-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;[4-(7-fluoro-6-methyl-2-sulfanylidene-3H-indol-1-yl)piperidin-1-yl]-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazol-3-yl]methanone;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-6-methyl-7-(trifluoromethyl)-3H-indol-2-one;1-(4-iodophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 161338702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).