3,5-difluoro-4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile;8-[1-(3-fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decane-2,4-dione;1-(4-fluorophenyl)-8-[1-(4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methoxyphenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile

C150H129F8N27O12 — CID 158861597

About 3,5-difluoro-4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile;8-[1-(3-fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decane-2,4-dione;1-(4-fluorophenyl)-8-[1-(4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methoxyphenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile

3,5-difluoro-4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile;8-[1-(3-fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decane-2,4-dione;1-(4-fluorophenyl)-8-[1-(4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methoxyphenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile (PubChem CID 158861597) has the molecular formula C150H129F8N27O12 and a molecular weight of 2653.84 g/mol. Its IUPAC name is 3,5-difluoro-4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile;8-[1-(3-fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decane-2,4-dione;1-(4-fluorophenyl)-8-[1-(4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methoxyphenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile.

Molecular Properties

• Compound Name: 3,5-difluoro-4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile;8-[1-(3-fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decane-2,4-dione;1-(4-fluorophenyl)-8-[1-(4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methoxyphenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile
• PubChem CID: 158861597
• Molecular Formula: C150H129F8N27O12
• Molecular Weight: 2653.84 g/mol
• Exact Mass: 2652.02
• IUPAC Name: 3,5-difluoro-4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile;8-[1-(3-fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decane-2,4-dione;1-(4-fluorophenyl)-8-[1-(4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methoxyphenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile
• SMILES: COc1ccc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4ccncc4)n(-c4ccc(F)cc4)n2)CC3)cc1.Cc1ccc(-n2nc(C(=O)N3CCC4(CC3)C(=O)CC(=O)N4c3ccc(F)cc3)cc2-c2ccncc2)cc1F.Cc1ccc(-n2nc(C(=O)N3CCC4(CC3)C(=O)CCN4c3ccc(F)cc3)cc2-c2ccncc2)cc1.N#Cc1cc(F)c(N2CCC(=O)C23CCN(C(=O)c2cc(-c4ccncc4)n(-c4ccc(F)cc4)n2)CC3)c(F)c1.N#Cc1ccc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4ccncc4)n(-c4ccc(F)cc4)n2)CC3)cc1
• InChI: InChI=1S/C30H23F3N6O2.C30H25F2N5O3.C30H25FN6O2.C30H28FN5O3.C30H28FN5O2/c31-21-1-3-22(4-2-21)39-26(20-5-10-35-11-6-20)17-25(36-39)29(41)37-13-8-30(9-14-37)27(40)7-12-38(30)28-23(32)15-19(18-34)16-24(28)33;1-19-2-5-23(16-24(19)32)37-26(20-8-12-33-13-9-20)17-25(34-37)29(40)35-14-10-30(11-15-35)27(38)18-28(39)36(30)22-6-3-21(31)4-7-22;31-23-3-7-25(8-4-23)37-27(22-9-14-33-15-10-22)19-26(34-37)29(39)35-17-12-30(13-18-35)28(38)11-16-36(30)24-5-1-21(20-32)2-6-24;1-39-25-8-6-23(7-9-25)35-17-12-28(37)30(35)13-18-34(19-14-30)29(38)26-20-27(21-10-15-32-16-11-21)36(33-26)24-4-2-22(31)3-5-24;1-21-2-6-25(7-3-21)36-27(22-10-15-32-16-11-22)20-26(33-36)29(38)34-18-13-30(14-19-34)28(37)12-17-35(30)24-8-4-23(31)5-9-24/h1-6,10-11,15-17H,7-9,12-14H2;2-9,12-13,16-17H,10-11,14-15,18H2,1H3;1-10,14-15,19H,11-13,16-18H2;2-11,15-16,20H,12-14,17-19H2,1H3;2-11,15-16,20H,12-14,17-19H2,1H3
• InChIKey: JASMNNZJGGUBBQ-UHFFFAOYSA-N
• XLogP: 22.95
• TPSA: 430.53 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 21
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2653.84
LogP ≤ 5	22.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile;8-[1-(3-fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decane-2,4-dione;1-(4-fluorophenyl)-8-[1-(4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methoxyphenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile?

The IUPAC name of 3,5-difluoro-4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile;8-[1-(3-fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decane-2,4-dione;1-(4-fluorophenyl)-8-[1-(4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methoxyphenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile (CID 158861597) is 3,5-difluoro-4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile;8-[1-(3-fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decane-2,4-dione;1-(4-fluorophenyl)-8-[1-(4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methoxyphenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile.

What is the SMILES notation for 3,5-difluoro-4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile;8-[1-(3-fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decane-2,4-dione;1-(4-fluorophenyl)-8-[1-(4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methoxyphenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile?

The canonical SMILES for 3,5-difluoro-4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile;8-[1-(3-fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decane-2,4-dione;1-(4-fluorophenyl)-8-[1-(4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methoxyphenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile is COc1ccc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4ccncc4)n(-c4ccc(F)cc4)n2)CC3)cc1.Cc1ccc(-n2nc(C(=O)N3CCC4(CC3)C(=O)CC(=O)N4c3ccc(F)cc3)cc2-c2ccncc2)cc1F.Cc1ccc(-n2nc(C(=O)N3CCC4(CC3)C(=O)CCN4c3ccc(F)cc3)cc2-c2ccncc2)cc1.N#Cc1cc(F)c(N2CCC(=O)C23CCN(C(=O)c2cc(-c4ccncc4)n(-c4ccc(F)cc4)n2)CC3)c(F)c1.N#Cc1ccc(N2CCC(=O)C23CCN(C(=O)c2cc(-c4ccncc4)n(-c4ccc(F)cc4)n2)CC3)cc1.

What is the InChIKey of 3,5-difluoro-4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile;8-[1-(3-fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decane-2,4-dione;1-(4-fluorophenyl)-8-[1-(4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methoxyphenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile?

The InChIKey is JASMNNZJGGUBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N6O2.C30H25F2N5O3.C30H25FN6O2.C30H28FN5O3.C30H28FN5O2/c31-21-1-3-22(4-2-21)39-26(20-5-10-35-11-6-20)17-25(36-39)29(41)37-13-8-30(9-14-37)27(40)7-12-38(30)28-23(32)15-19(18-34)16-24(28)33;1-19-2-5-23(16-24(19)32)37-26(20-8-12-33-13-9-20)17-25(34-37)29(40)35-14-10-30(11-15-35)27(38)18-28(39)36(30)22-6-3-21(31)4-7-22;31-23-3-7-25(8-4-23)37-27(22-9-14-33-15-10-22)19-26(34-37)29(39)35-17-12-30(13-18-35)28(38)11-16-36(30)24-5-1-21(20-32)2-6-24;1-39-25-8-6-23(7-9-25)35-17-12-28(37)30(35)13-18-34(19-14-30)29(38)26-20-27(21-10-15-32-16-11-21)36(33-26)24-4-2-22(31)3-5-24;1-21-2-6-25(7-3-21)36-27(22-10-15-32-16-11-22)20-26(33-36)29(38)34-18-13-30(14-19-34)28(37)12-17-35(30)24-8-4-23(31)5-9-24/h1-6,10-11,15-17H,7-9,12-14H2;2-9,12-13,16-17H,10-11,14-15,18H2,1H3;1-10,14-15,19H,11-13,16-18H2;2-11,15-16,20H,12-14,17-19H2,1H3;2-11,15-16,20H,12-14,17-19H2,1H3.

What are the key properties of 3,5-difluoro-4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile;8-[1-(3-fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decane-2,4-dione;1-(4-fluorophenyl)-8-[1-(4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methoxyphenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile?

3,5-difluoro-4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile;8-[1-(3-fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decane-2,4-dione;1-(4-fluorophenyl)-8-[1-(4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methoxyphenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile has a molecular weight of 2653.84 g/mol, XLogP of 22.95, 21 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile;8-[1-(3-fluoro-4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decane-2,4-dione;1-(4-fluorophenyl)-8-[1-(4-methylphenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-(4-methoxyphenyl)-1,8-diazaspiro[4.5]decan-4-one;4-[8-[1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbonyl]-4-oxo-1,8-diazaspiro[4.5]decan-1-yl]benzonitrile is sourced from PubChem (CID 158861597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).