benzyl 5-[8-[(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)indazole-1-carboxylate;2-fluoro-N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide;(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoic acid;hydrochloride

C100H108ClF3N18O17 — CID 157317711

About benzyl 5-[8-[(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)indazole-1-carboxylate;2-fluoro-N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide;(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoic acid;hydrochloride

benzyl 5-[8-[(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)indazole-1-carboxylate;2-fluoro-N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide;(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoic acid;hydrochloride (PubChem CID 157317711) has the molecular formula C100H108ClF3N18O17 and a molecular weight of 1926.52 g/mol. Its IUPAC name is benzyl 5-[8-[(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)indazole-1-carboxylate;2-fluoro-N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide;(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoic acid;hydrochloride.

Molecular Properties

• Compound Name: benzyl 5-[8-[(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)indazole-1-carboxylate;2-fluoro-N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide;(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoic acid;hydrochloride
• PubChem CID: 157317711
• Molecular Formula: C100H108ClF3N18O17
• Molecular Weight: 1926.52 g/mol
• Exact Mass: 1924.78
• IUPAC Name: benzyl 5-[8-[(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)indazole-1-carboxylate;2-fluoro-N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide;(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoic acid;hydrochloride
• SMILES: CN1C(=O)N(c2ccc3c(cnn3C(=O)OCc3ccccc3)c2)C2(CCNCC2)C1=O.Cc1ccc(F)c(C(=O)N[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3c2ccc3[nH]ncc3c2)C(C)C)c1.Cc1ccc(F)c(C(=O)N[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3c2ccc3c(cnn3C(=O)OCc3ccccc3)c2)C(C)C)c1.Cc1ccc(F)c(C(=O)N[C@@H](C(=O)O)C(C)C)c1.Cl
• InChI: InChI=1S/C36H37FN6O6.C28H31FN6O4.C23H23N5O4.C13H16FNO3.ClH/c1-22(2)30(39-31(44)27-18-23(3)10-12-28(27)37)32(45)41-16-14-36(15-17-41)33(46)40(4)34(47)42(36)26-11-13-29-25(19-26)20-38-43(29)35(48)49-21-24-8-6-5-7-9-24;1-16(2)23(31-24(36)20-13-17(3)5-7-21(20)29)25(37)34-11-9-28(10-12-34)26(38)33(4)27(39)35(28)19-6-8-22-18(14-19)15-30-32-22;1-26-20(29)23(9-11-24-12-10-23)27(21(26)30)18-7-8-19-17(13-18)14-25-28(19)22(31)32-15-16-5-3-2-4-6-16;1-7(2)11(13(17)18)15-12(16)9-6-8(3)4-5-10(9)14;/h5-13,18-20,22,30H,14-17,21H2,1-4H3,(H,39,44);5-8,13-16,23H,9-12H2,1-4H3,(H,30,32)(H,31,36);2-8,13-14,24H,9-12,15H2,1H3;4-7,11H,1-3H3,(H,15,16)(H,17,18);1H/t30-;23-;;11-;/m11.1./s1
• InChIKey: IXCLMBXHPBACEN-YKZIULFCSA-N
• XLogP: 13.24
• TPSA: 416.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1926.52
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl 5-[8-[(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)indazole-1-carboxylate;2-fluoro-N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide;(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoic acid;hydrochloride?

The IUPAC name of benzyl 5-[8-[(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)indazole-1-carboxylate;2-fluoro-N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide;(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoic acid;hydrochloride (CID 157317711) is benzyl 5-[8-[(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)indazole-1-carboxylate;2-fluoro-N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide;(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoic acid;hydrochloride.

What is the SMILES notation for benzyl 5-[8-[(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)indazole-1-carboxylate;2-fluoro-N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide;(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoic acid;hydrochloride?

The canonical SMILES for benzyl 5-[8-[(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)indazole-1-carboxylate;2-fluoro-N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide;(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoic acid;hydrochloride is CN1C(=O)N(c2ccc3c(cnn3C(=O)OCc3ccccc3)c2)C2(CCNCC2)C1=O.Cc1ccc(F)c(C(=O)N[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3c2ccc3[nH]ncc3c2)C(C)C)c1.Cc1ccc(F)c(C(=O)N[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3c2ccc3c(cnn3C(=O)OCc3ccccc3)c2)C(C)C)c1.Cc1ccc(F)c(C(=O)N[C@@H](C(=O)O)C(C)C)c1.Cl.

What is the InChIKey of benzyl 5-[8-[(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)indazole-1-carboxylate;2-fluoro-N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide;(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoic acid;hydrochloride?

The InChIKey is IXCLMBXHPBACEN-YKZIULFCSA-N. The full InChI is InChI=1S/C36H37FN6O6.C28H31FN6O4.C23H23N5O4.C13H16FNO3.ClH/c1-22(2)30(39-31(44)27-18-23(3)10-12-28(27)37)32(45)41-16-14-36(15-17-41)33(46)40(4)34(47)42(36)26-11-13-29-25(19-26)20-38-43(29)35(48)49-21-24-8-6-5-7-9-24;1-16(2)23(31-24(36)20-13-17(3)5-7-21(20)29)25(37)34-11-9-28(10-12-34)26(38)33(4)27(39)35(28)19-6-8-22-18(14-19)15-30-32-22;1-26-20(29)23(9-11-24-12-10-23)27(21(26)30)18-7-8-19-17(13-18)14-25-28(19)22(31)32-15-16-5-3-2-4-6-16;1-7(2)11(13(17)18)15-12(16)9-6-8(3)4-5-10(9)14;/h5-13,18-20,22,30H,14-17,21H2,1-4H3,(H,39,44);5-8,13-16,23H,9-12H2,1-4H3,(H,30,32)(H,31,36);2-8,13-14,24H,9-12,15H2,1H3;4-7,11H,1-3H3,(H,15,16)(H,17,18);1H/t30-;23-;;11-;/m11.1./s1.

What are the key properties of benzyl 5-[8-[(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)indazole-1-carboxylate;2-fluoro-N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide;(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoic acid;hydrochloride?

benzyl 5-[8-[(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)indazole-1-carboxylate;2-fluoro-N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide;(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoic acid;hydrochloride has a molecular weight of 1926.52 g/mol, XLogP of 13.24, 19 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 5-[8-[(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]indazole-1-carboxylate;benzyl 5-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl)indazole-1-carboxylate;2-fluoro-N-[(2R)-1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide;(2R)-2-[(2-fluoro-5-methylbenzoyl)amino]-3-methylbutanoic acid;hydrochloride is sourced from PubChem (CID 157317711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).