1-(4-diethylphosphorylphenyl)-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-[1-methyl-5-(oxan-4-yl)indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one

C43H48FN6O4P — CID 167152199

About 1-(4-diethylphosphorylphenyl)-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-[1-methyl-5-(oxan-4-yl)indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one

1-(4-diethylphosphorylphenyl)-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-[1-methyl-5-(oxan-4-yl)indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one (PubChem CID 167152199) has the molecular formula C43H48FN6O4P and a molecular weight of 762.87 g/mol. Its IUPAC name is 1-(4-diethylphosphorylphenyl)-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-[1-methyl-5-(oxan-4-yl)indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-(4-diethylphosphorylphenyl)-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-[1-methyl-5-(oxan-4-yl)indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one
• PubChem CID: 167152199
• Molecular Formula: C43H48FN6O4P
• Molecular Weight: 762.87 g/mol
• Exact Mass: 762.35
• IUPAC Name: 1-(4-diethylphosphorylphenyl)-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-[1-methyl-5-(oxan-4-yl)indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one
• SMILES: CCP(=O)(CC)c1ccc(-n2ccn(-c3c4c(nn3-c3cc(C)c(F)c(C)c3)CCN(C(=O)c3cc5cc(C6CCOCC6)ccc5n3C)[C@H]4C)c2=O)cc1
• InChI: InChI=1S/C43H48FN6O4P/c1-7-55(53,8-2)35-12-10-33(11-13-35)48-19-20-49(43(48)52)41-39-29(5)47(18-15-36(39)45-50(41)34-23-27(3)40(44)28(4)24-34)42(51)38-26-32-25-31(9-14-37(32)46(38)6)30-16-21-54-22-17-30/h9-14,19-20,23-26,29-30H,7-8,15-18,21-22H2,1-6H3/t29-/m0/s1
• InChIKey: ZUYKZJVFDKKIJR-LJAQVGFWSA-N
• XLogP: 7.74
• TPSA: 96.29 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.87
LogP ≤ 5	7.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-diethylphosphorylphenyl)-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-[1-methyl-5-(oxan-4-yl)indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one?

The IUPAC name of 1-(4-diethylphosphorylphenyl)-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-[1-methyl-5-(oxan-4-yl)indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one (CID 167152199) is 1-(4-diethylphosphorylphenyl)-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-[1-methyl-5-(oxan-4-yl)indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one.

What is the SMILES notation for 1-(4-diethylphosphorylphenyl)-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-[1-methyl-5-(oxan-4-yl)indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one?

The canonical SMILES for 1-(4-diethylphosphorylphenyl)-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-[1-methyl-5-(oxan-4-yl)indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one is CCP(=O)(CC)c1ccc(-n2ccn(-c3c4c(nn3-c3cc(C)c(F)c(C)c3)CCN(C(=O)c3cc5cc(C6CCOCC6)ccc5n3C)[C@H]4C)c2=O)cc1.

What is the InChIKey of 1-(4-diethylphosphorylphenyl)-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-[1-methyl-5-(oxan-4-yl)indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one?

The InChIKey is ZUYKZJVFDKKIJR-LJAQVGFWSA-N. The full InChI is InChI=1S/C43H48FN6O4P/c1-7-55(53,8-2)35-12-10-33(11-13-35)48-19-20-49(43(48)52)41-39-29(5)47(18-15-36(39)45-50(41)34-23-27(3)40(44)28(4)24-34)42(51)38-26-32-25-31(9-14-37(32)46(38)6)30-16-21-54-22-17-30/h9-14,19-20,23-26,29-30H,7-8,15-18,21-22H2,1-6H3/t29-/m0/s1.

What are the key properties of 1-(4-diethylphosphorylphenyl)-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-[1-methyl-5-(oxan-4-yl)indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one?

1-(4-diethylphosphorylphenyl)-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-[1-methyl-5-(oxan-4-yl)indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one has a molecular weight of 762.87 g/mol, XLogP of 7.74, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-diethylphosphorylphenyl)-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-5-[1-methyl-5-(oxan-4-yl)indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one is sourced from PubChem (CID 167152199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).