9H-fluoren-9-ylmethyl N-cyclopropyl-N-[2-[3-[3-[[2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-(oxetan-3-yl)-2-oxoethyl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate

C69H77FN10O9 — CID 176582346

About 9H-fluoren-9-ylmethyl N-cyclopropyl-N-[2-[3-[3-[[2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-(oxetan-3-yl)-2-oxoethyl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate

9H-fluoren-9-ylmethyl N-cyclopropyl-N-[2-[3-[3-[[2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-(oxetan-3-yl)-2-oxoethyl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 176582346) has the molecular formula C69H77FN10O9 and a molecular weight of 1209.43 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-cyclopropyl-N-[2-[3-[3-[[2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-(oxetan-3-yl)-2-oxoethyl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-cyclopropyl-N-[2-[3-[3-[[2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-(oxetan-3-yl)-2-oxoethyl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate
• PubChem CID: 176582346
• Molecular Formula: C69H77FN10O9
• Molecular Weight: 1209.43 g/mol
• Exact Mass: 1208.59
• IUPAC Name: 9H-fluoren-9-ylmethyl N-cyclopropyl-N-[2-[3-[3-[[2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-(oxetan-3-yl)-2-oxoethyl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate
• SMILES: O=C(NC(C(=O)N1CCN(CC2CCN(CC(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)CC2)CC1)C1COC1)c1cccc(C2CCCN(C(=O)CN(C(=O)OCC3c4ccccc4-c4ccccc43)C3CC3)C2)c1
• InChI: InChI=1S/C69H77FN10O9/c70-60-21-18-46(36-61-56-16-5-6-17-57(56)66(84)73-72-61)35-58(60)67(85)77-33-31-76(32-34-77)62(81)40-74-25-22-45(23-26-74)38-75-27-29-78(30-28-75)68(86)64(50-42-88-43-50)71-65(83)48-10-7-9-47(37-48)49-11-8-24-79(39-49)63(82)41-80(51-19-20-51)69(87)89-44-59-54-14-3-1-12-52(54)53-13-2-4-15-55(53)59/h1-7,9-10,12-18,21,35,37,45,49-51,59,64H,8,11,19-20,22-34,36,38-44H2,(H,71,83)(H,73,84)
• InChIKey: OWSNOCOFXJTCQZ-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 201.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1209.43
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-cyclopropyl-N-[2-[3-[3-[[2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-(oxetan-3-yl)-2-oxoethyl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-cyclopropyl-N-[2-[3-[3-[[2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-(oxetan-3-yl)-2-oxoethyl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate (CID 176582346) is 9H-fluoren-9-ylmethyl N-cyclopropyl-N-[2-[3-[3-[[2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-(oxetan-3-yl)-2-oxoethyl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-cyclopropyl-N-[2-[3-[3-[[2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-(oxetan-3-yl)-2-oxoethyl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-cyclopropyl-N-[2-[3-[3-[[2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-(oxetan-3-yl)-2-oxoethyl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate is O=C(NC(C(=O)N1CCN(CC2CCN(CC(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6ccccc56)ccc4F)CC3)CC2)CC1)C1COC1)c1cccc(C2CCCN(C(=O)CN(C(=O)OCC3c4ccccc4-c4ccccc43)C3CC3)C2)c1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-cyclopropyl-N-[2-[3-[3-[[2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-(oxetan-3-yl)-2-oxoethyl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate?

The InChIKey is OWSNOCOFXJTCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H77FN10O9/c70-60-21-18-46(36-61-56-16-5-6-17-57(56)66(84)73-72-61)35-58(60)67(85)77-33-31-76(32-34-77)62(81)40-74-25-22-45(23-26-74)38-75-27-29-78(30-28-75)68(86)64(50-42-88-43-50)71-65(83)48-10-7-9-47(37-48)49-11-8-24-79(39-49)63(82)41-80(51-19-20-51)69(87)89-44-59-54-14-3-1-12-52(54)53-13-2-4-15-55(53)59/h1-7,9-10,12-18,21,35,37,45,49-51,59,64H,8,11,19-20,22-34,36,38-44H2,(H,71,83)(H,73,84).

What are the key properties of 9H-fluoren-9-ylmethyl N-cyclopropyl-N-[2-[3-[3-[[2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-(oxetan-3-yl)-2-oxoethyl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate?

9H-fluoren-9-ylmethyl N-cyclopropyl-N-[2-[3-[3-[[2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-(oxetan-3-yl)-2-oxoethyl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 1209.43 g/mol, XLogP of 6.36, 17 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-cyclopropyl-N-[2-[3-[3-[[2-[4-[[1-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-(oxetan-3-yl)-2-oxoethyl]carbamoyl]phenyl]piperidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 176582346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).