9H-fluoren-9-ylmethyl N-[(2S)-3-[[4-[[5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-3-pyridinyl]amino]-4-oxobutanoyl]amino]-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate

C55H55F2N9O9 — CID 171508261

About 9H-fluoren-9-ylmethyl N-[(2S)-3-[[4-[[5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-3-pyridinyl]amino]-4-oxobutanoyl]amino]-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-3-[[4-[[5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-3-pyridinyl]amino]-4-oxobutanoyl]amino]-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate (PubChem CID 171508261) has the molecular formula C55H55F2N9O9 and a molecular weight of 1024.09 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-3-[[4-[[5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-3-pyridinyl]amino]-4-oxobutanoyl]amino]-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[(2S)-3-[[4-[[5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-3-pyridinyl]amino]-4-oxobutanoyl]amino]-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate
• PubChem CID: 171508261
• Molecular Formula: C55H55F2N9O9
• Molecular Weight: 1024.09 g/mol
• Exact Mass: 1023.41
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[(2S)-3-[[4-[[5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-3-pyridinyl]amino]-4-oxobutanoyl]amino]-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate
• SMILES: COc1cc2c(cc1-c1cncc(NC(=O)CCC(=O)NC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)N3CCNCC3)c1)-c1c(c(C(=O)N3CCOCC3(C)C)nn1-c1cc(F)cc(F)c1)CO2
• InChI: InChI=1S/C55H55F2N9O9/c1-55(2)31-73-19-18-65(55)53(70)50-44-30-74-47-25-46(72-3)41(24-42(47)51(44)66(63-50)36-22-33(56)21-34(57)23-36)32-20-35(27-59-26-32)61-49(68)13-12-48(67)60-28-45(52(69)64-16-14-58-15-17-64)62-54(71)75-29-43-39-10-6-4-8-37(39)38-9-5-7-11-40(38)43/h4-11,20-27,43,45,58H,12-19,28-31H2,1-3H3,(H,60,67)(H,61,68)(H,62,71)/t45-/m0/s1
• InChIKey: PVKYIBGUQGLZHR-GWHBCOKCSA-N
• XLogP: 6.21
• TPSA: 207.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1024.09
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-3-[[4-[[5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-3-pyridinyl]amino]-4-oxobutanoyl]amino]-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-3-[[4-[[5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-3-pyridinyl]amino]-4-oxobutanoyl]amino]-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate (CID 171508261) is 9H-fluoren-9-ylmethyl N-[(2S)-3-[[4-[[5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-3-pyridinyl]amino]-4-oxobutanoyl]amino]-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-3-[[4-[[5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-3-pyridinyl]amino]-4-oxobutanoyl]amino]-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-3-[[4-[[5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-3-pyridinyl]amino]-4-oxobutanoyl]amino]-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate is COc1cc2c(cc1-c1cncc(NC(=O)CCC(=O)NC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)N3CCNCC3)c1)-c1c(c(C(=O)N3CCOCC3(C)C)nn1-c1cc(F)cc(F)c1)CO2.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-3-[[4-[[5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-3-pyridinyl]amino]-4-oxobutanoyl]amino]-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate?

The InChIKey is PVKYIBGUQGLZHR-GWHBCOKCSA-N. The full InChI is InChI=1S/C55H55F2N9O9/c1-55(2)31-73-19-18-65(55)53(70)50-44-30-74-47-25-46(72-3)41(24-42(47)51(44)66(63-50)36-22-33(56)21-34(57)23-36)32-20-35(27-59-26-32)61-49(68)13-12-48(67)60-28-45(52(69)64-16-14-58-15-17-64)62-54(71)75-29-43-39-10-6-4-8-37(39)38-9-5-7-11-40(38)43/h4-11,20-27,43,45,58H,12-19,28-31H2,1-3H3,(H,60,67)(H,61,68)(H,62,71)/t45-/m0/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-3-[[4-[[5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-3-pyridinyl]amino]-4-oxobutanoyl]amino]-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate?

9H-fluoren-9-ylmethyl N-[(2S)-3-[[4-[[5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-3-pyridinyl]amino]-4-oxobutanoyl]amino]-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate has a molecular weight of 1024.09 g/mol, XLogP of 6.21, 14 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[(2S)-3-[[4-[[5-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-3-pyridinyl]amino]-4-oxobutanoyl]amino]-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate is sourced from PubChem (CID 171508261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).