7-(4-dimethylphosphorylphenyl)-5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[(3S,5R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(6-oxopiperidin-3-yl)benzamide

C92H93F3N13O9P — CID 157383469

About 7-(4-dimethylphosphorylphenyl)-5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[(3S,5R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(6-oxopiperidin-3-yl)benzamide

7-(4-dimethylphosphorylphenyl)-5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[(3S,5R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(6-oxopiperidin-3-yl)benzamide (PubChem CID 157383469) has the molecular formula C92H93F3N13O9P and a molecular weight of 1612.81 g/mol. Its IUPAC name is 7-(4-dimethylphosphorylphenyl)-5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[(3S,5R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(6-oxopiperidin-3-yl)benzamide.

Molecular Properties

• Compound Name: 7-(4-dimethylphosphorylphenyl)-5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[(3S,5R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(6-oxopiperidin-3-yl)benzamide
• PubChem CID: 157383469
• Molecular Formula: C92H93F3N13O9P
• Molecular Weight: 1612.81 g/mol
• Exact Mass: 1611.69
• IUPAC Name: 7-(4-dimethylphosphorylphenyl)-5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[(3S,5R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(6-oxopiperidin-3-yl)benzamide
• SMILES: COCC(C)(C)c1c(-c2ccc(C(=O)NC3CCC(=O)NC3)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2ccc(C(=O)N[C@H]3C[C@H](CO)NC3=O)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2ccc(P(C)(C)=O)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1
• InChI: InChI=1S/C32H32FN5O4.C32H32FN5O3.C28H29FN3O2P/c1-32(2,17-42-3)29-28(18-4-6-19(7-5-18)30(40)36-26-13-22(16-39)35-31(26)41)24-14-25-20(15-34-37-25)12-27(24)38(29)23-10-8-21(33)9-11-23;1-32(2,18-41-3)30-29(19-4-6-20(7-5-19)31(40)36-23-10-13-28(39)34-17-23)25-15-26-21(16-35-37-26)14-27(25)38(30)24-11-8-22(33)9-12-24;1-28(2,17-34-3)27-26(18-6-12-22(13-7-18)35(4,5)33)23-15-24-19(16-30-31-24)14-25(23)32(27)21-10-8-20(29)9-11-21/h4-12,14-15,22,26,39H,13,16-17H2,1-3H3,(H,34,37)(H,35,41)(H,36,40);4-9,11-12,14-16,23H,10,13,17-18H2,1-3H3,(H,34,39)(H,35,37)(H,36,40);6-16H,17H2,1-5H3,(H,30,31)/t22-,26+;;/m1../s1
• InChIKey: BLDRPYZWOIGGJN-HEJCMRORSA-N
• XLogP: 15.95
• TPSA: 282.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1612.81
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(4-dimethylphosphorylphenyl)-5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[(3S,5R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(6-oxopiperidin-3-yl)benzamide?

The IUPAC name of 7-(4-dimethylphosphorylphenyl)-5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[(3S,5R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(6-oxopiperidin-3-yl)benzamide (CID 157383469) is 7-(4-dimethylphosphorylphenyl)-5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[(3S,5R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(6-oxopiperidin-3-yl)benzamide.

What is the SMILES notation for 7-(4-dimethylphosphorylphenyl)-5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[(3S,5R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(6-oxopiperidin-3-yl)benzamide?

The canonical SMILES for 7-(4-dimethylphosphorylphenyl)-5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[(3S,5R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(6-oxopiperidin-3-yl)benzamide is COCC(C)(C)c1c(-c2ccc(C(=O)NC3CCC(=O)NC3)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2ccc(C(=O)N[C@H]3C[C@H](CO)NC3=O)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.COCC(C)(C)c1c(-c2ccc(P(C)(C)=O)cc2)c2cc3[nH]ncc3cc2n1-c1ccc(F)cc1.

What is the InChIKey of 7-(4-dimethylphosphorylphenyl)-5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[(3S,5R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(6-oxopiperidin-3-yl)benzamide?

The InChIKey is BLDRPYZWOIGGJN-HEJCMRORSA-N. The full InChI is InChI=1S/C32H32FN5O4.C32H32FN5O3.C28H29FN3O2P/c1-32(2,17-42-3)29-28(18-4-6-19(7-5-18)30(40)36-26-13-22(16-39)35-31(26)41)24-14-25-20(15-34-37-25)12-27(24)38(29)23-10-8-21(33)9-11-23;1-32(2,18-41-3)30-29(19-4-6-20(7-5-19)31(40)36-23-10-13-28(39)34-17-23)25-15-26-21(16-35-37-26)14-27(25)38(30)24-11-8-22(33)9-12-24;1-28(2,17-34-3)27-26(18-6-12-22(13-7-18)35(4,5)33)23-15-24-19(16-30-31-24)14-25(23)32(27)21-10-8-20(29)9-11-21/h4-12,14-15,22,26,39H,13,16-17H2,1-3H3,(H,34,37)(H,35,41)(H,36,40);4-9,11-12,14-16,23H,10,13,17-18H2,1-3H3,(H,34,39)(H,35,37)(H,36,40);6-16H,17H2,1-5H3,(H,30,31)/t22-,26+;;/m1../s1.

What are the key properties of 7-(4-dimethylphosphorylphenyl)-5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[(3S,5R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(6-oxopiperidin-3-yl)benzamide?

7-(4-dimethylphosphorylphenyl)-5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[(3S,5R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(6-oxopiperidin-3-yl)benzamide has a molecular weight of 1612.81 g/mol, XLogP of 15.95, 21 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-dimethylphosphorylphenyl)-5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazole;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-[(3S,5R)-5-(hydroxymethyl)-2-oxopyrrolidin-3-yl]benzamide;4-[5-(4-fluorophenyl)-6-(1-methoxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]-N-(6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 157383469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).