3-[(1S,2S)-1-[2-[(4S)-3-[3-[6-diethylphosphoryl-5-(methylamino)-3-pyridinyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one

C48H54FN10O6P — CID 164809770

About 3-[(1S,2S)-1-[2-[(4S)-3-[3-[6-diethylphosphoryl-5-(methylamino)-3-pyridinyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one

3-[(1S,2S)-1-[2-[(4S)-3-[3-[6-diethylphosphoryl-5-(methylamino)-3-pyridinyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 164809770) has the molecular formula C48H54FN10O6P and a molecular weight of 917.00 g/mol. Its IUPAC name is 3-[(1S,2S)-1-[2-[(4S)-3-[3-[6-diethylphosphoryl-5-(methylamino)-3-pyridinyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

• Compound Name: 3-[(1S,2S)-1-[2-[(4S)-3-[3-[6-diethylphosphoryl-5-(methylamino)-3-pyridinyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 164809770
• Molecular Formula: C48H54FN10O6P
• Molecular Weight: 917.00 g/mol
• Exact Mass: 916.39
• IUPAC Name: 3-[(1S,2S)-1-[2-[(4S)-3-[3-[6-diethylphosphoryl-5-(methylamino)-3-pyridinyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one
• SMILES: CCP(=O)(CC)c1ncc(-n2ccn(-c3c4c(nn3-c3cc(C)c(F)c(C)c3)CCN(C(=O)c3cc5cc(C6CCOCC6)ccc5n3[C@@]3(c5noc(=O)[nH]5)C[C@@H]3C)[C@H]4C)c2=O)cc1NC
• InChI: InChI=1S/C48H54FN10O6P/c1-8-66(63,9-2)42-37(50-7)24-35(26-51-42)56-16-17-57(47(56)62)43-40-30(6)55(15-12-36(40)53-59(43)34-20-27(3)41(49)28(4)21-34)44(60)39-23-33-22-32(31-13-18-64-19-14-31)10-11-38(33)58(39)48(25-29(48)5)45-52-46(61)65-54-45/h10-11,16-17,20-24,26,29-31,50H,8-9,12-15,18-19,25H2,1-7H3,(H,52,54,61)/t29-,30-,48-/m0/s1
• InChIKey: DONDQWKKBFZPHZ-OZTRTODVSA-N
• XLogP: 7.10
• TPSA: 180.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	917.00
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S)-1-[2-[(4S)-3-[3-[6-diethylphosphoryl-5-(methylamino)-3-pyridinyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one?

The IUPAC name of 3-[(1S,2S)-1-[2-[(4S)-3-[3-[6-diethylphosphoryl-5-(methylamino)-3-pyridinyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one (CID 164809770) is 3-[(1S,2S)-1-[2-[(4S)-3-[3-[6-diethylphosphoryl-5-(methylamino)-3-pyridinyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one.

What is the SMILES notation for 3-[(1S,2S)-1-[2-[(4S)-3-[3-[6-diethylphosphoryl-5-(methylamino)-3-pyridinyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one?

The canonical SMILES for 3-[(1S,2S)-1-[2-[(4S)-3-[3-[6-diethylphosphoryl-5-(methylamino)-3-pyridinyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one is CCP(=O)(CC)c1ncc(-n2ccn(-c3c4c(nn3-c3cc(C)c(F)c(C)c3)CCN(C(=O)c3cc5cc(C6CCOCC6)ccc5n3[C@@]3(c5noc(=O)[nH]5)C[C@@H]3C)[C@H]4C)c2=O)cc1NC.

What is the InChIKey of 3-[(1S,2S)-1-[2-[(4S)-3-[3-[6-diethylphosphoryl-5-(methylamino)-3-pyridinyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one?

The InChIKey is DONDQWKKBFZPHZ-OZTRTODVSA-N. The full InChI is InChI=1S/C48H54FN10O6P/c1-8-66(63,9-2)42-37(50-7)24-35(26-51-42)56-16-17-57(47(56)62)43-40-30(6)55(15-12-36(40)53-59(43)34-20-27(3)41(49)28(4)21-34)44(60)39-23-33-22-32(31-13-18-64-19-14-31)10-11-38(33)58(39)48(25-29(48)5)45-52-46(61)65-54-45/h10-11,16-17,20-24,26,29-31,50H,8-9,12-15,18-19,25H2,1-7H3,(H,52,54,61)/t29-,30-,48-/m0/s1.

What are the key properties of 3-[(1S,2S)-1-[2-[(4S)-3-[3-[6-diethylphosphoryl-5-(methylamino)-3-pyridinyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one?

3-[(1S,2S)-1-[2-[(4S)-3-[3-[6-diethylphosphoryl-5-(methylamino)-3-pyridinyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 917.00 g/mol, XLogP of 7.10, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1S,2S)-1-[2-[(4S)-3-[3-[6-diethylphosphoryl-5-(methylamino)-3-pyridinyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 164809770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).