3-[(4S)-5-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-fluoro-1-methylindazol-5-yl)-5,5-dimethylimidazolidine-2,4-dione

C50H52F2N10O6 — CID 177288596

About 3-[(4S)-5-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-fluoro-1-methylindazol-5-yl)-5,5-dimethylimidazolidine-2,4-dione

3-[(4S)-5-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-fluoro-1-methylindazol-5-yl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 177288596) has the molecular formula C50H52F2N10O6 and a molecular weight of 927.03 g/mol. Its IUPAC name is 3-[(4S)-5-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-fluoro-1-methylindazol-5-yl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[(4S)-5-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-fluoro-1-methylindazol-5-yl)-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 177288596
• Molecular Formula: C50H52F2N10O6
• Molecular Weight: 927.03 g/mol
• Exact Mass: 926.40
• IUPAC Name: 3-[(4S)-5-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-fluoro-1-methylindazol-5-yl)-5,5-dimethylimidazolidine-2,4-dione
• SMILES: Cc1cc(-n2nc3c(c2N2C(=O)N(c4ccc5c(cnn5C)c4F)C(C)(C)C2=O)[C@H](C)N(C(=O)c2cc4cc([C@H]5CCOC(C)(C)C5)ccc4n2[C@@]2(c4noc(=O)[nH]4)C[C@@H]2C)CC3)cc(C)c1F
• InChI: InChI=1S/C50H52F2N10O6/c1-25-18-32(19-26(2)40(25)51)62-42(59-45(64)49(7,8)61(47(59)66)37-13-12-36-33(41(37)52)24-53-57(36)9)39-28(4)58(16-14-34(39)55-62)43(63)38-21-31-20-29(30-15-17-67-48(5,6)23-30)10-11-35(31)60(38)50(22-27(50)3)44-54-46(65)68-56-44/h10-13,18-21,24,27-28,30H,14-17,22-23H2,1-9H3,(H,54,56,65)/t27-,28-,30-,50-/m0/s1
• InChIKey: CYJQIOQVBPGLRH-INGXBTFFSA-N
• XLogP: 8.25
• TPSA: 169.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	927.03
LogP ≤ 5	8.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-5-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-fluoro-1-methylindazol-5-yl)-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 3-[(4S)-5-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-fluoro-1-methylindazol-5-yl)-5,5-dimethylimidazolidine-2,4-dione (CID 177288596) is 3-[(4S)-5-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-fluoro-1-methylindazol-5-yl)-5,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for 3-[(4S)-5-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-fluoro-1-methylindazol-5-yl)-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 3-[(4S)-5-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-fluoro-1-methylindazol-5-yl)-5,5-dimethylimidazolidine-2,4-dione is Cc1cc(-n2nc3c(c2N2C(=O)N(c4ccc5c(cnn5C)c4F)C(C)(C)C2=O)[C@H](C)N(C(=O)c2cc4cc([C@H]5CCOC(C)(C)C5)ccc4n2[C@@]2(c4noc(=O)[nH]4)C[C@@H]2C)CC3)cc(C)c1F.

What is the InChIKey of 3-[(4S)-5-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-fluoro-1-methylindazol-5-yl)-5,5-dimethylimidazolidine-2,4-dione?

The InChIKey is CYJQIOQVBPGLRH-INGXBTFFSA-N. The full InChI is InChI=1S/C50H52F2N10O6/c1-25-18-32(19-26(2)40(25)51)62-42(59-45(64)49(7,8)61(47(59)66)37-13-12-36-33(41(37)52)24-53-57(36)9)39-28(4)58(16-14-34(39)55-62)43(63)38-21-31-20-29(30-15-17-67-48(5,6)23-30)10-11-35(31)60(38)50(22-27(50)3)44-54-46(65)68-56-44/h10-13,18-21,24,27-28,30H,14-17,22-23H2,1-9H3,(H,54,56,65)/t27-,28-,30-,50-/m0/s1.

What are the key properties of 3-[(4S)-5-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-fluoro-1-methylindazol-5-yl)-5,5-dimethylimidazolidine-2,4-dione?

3-[(4S)-5-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-fluoro-1-methylindazol-5-yl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 927.03 g/mol, XLogP of 8.25, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4S)-5-[5-[(4S)-2,2-dimethyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carbonyl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1-(4-fluoro-1-methylindazol-5-yl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 177288596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).