cyclobutane;4-fluoro-2-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[[1-[2-[1-[[2-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide;formic acid

C56H73F4N11O8 — CID 171511008

About cyclobutane;4-fluoro-2-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[[1-[2-[1-[[2-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide;formic acid

cyclobutane;4-fluoro-2-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[[1-[2-[1-[[2-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide;formic acid (PubChem CID 171511008) has the molecular formula C56H73F4N11O8 and a molecular weight of 1104.26 g/mol. Its IUPAC name is cyclobutane;4-fluoro-2-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[[1-[2-[1-[[2-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide;formic acid.

Molecular Properties

• Compound Name: cyclobutane;4-fluoro-2-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[[1-[2-[1-[[2-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide;formic acid
• PubChem CID: 171511008
• Molecular Formula: C56H73F4N11O8
• Molecular Weight: 1104.26 g/mol
• Exact Mass: 1103.56
• IUPAC Name: cyclobutane;4-fluoro-2-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[[1-[2-[1-[[2-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide;formic acid
• SMILES: C1CCC1.CNC(=O)CCC(C=O)N(C)C(=O)c1cc(N2CCN(CC3CCN(CCOC4CCN(Cc5cc(C(F)(F)F)c6cn(-c7cccc(Cc8nncn8C)c7)c(=O)n6c5)CC4)CC3)CC2)c(F)cc1C=O.O=CO
• InChI: InChI=1S/C51H63F4N11O6.C4H8.CH2O2/c1-56-48(69)8-7-40(33-68)60(3)49(70)42-27-45(44(52)26-38(42)32-67)64-19-17-63(18-20-64)28-35-9-13-61(14-10-35)21-22-72-41-11-15-62(16-12-41)29-37-24-43(51(53,54)55)46-31-65(50(71)66(46)30-37)39-6-4-5-36(23-39)25-47-58-57-34-59(47)2;1-2-4-3-1;2-1-3/h4-6,23-24,26-27,30-35,40-41H,7-22,25,28-29H2,1-3H3,(H,56,69);1-4H2;1H,(H,2,3)
• InChIKey: GWTOGQZUVNOYFT-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 200.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1104.26
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclobutane;4-fluoro-2-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[[1-[2-[1-[[2-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide;formic acid?

The IUPAC name of cyclobutane;4-fluoro-2-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[[1-[2-[1-[[2-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide;formic acid (CID 171511008) is cyclobutane;4-fluoro-2-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[[1-[2-[1-[[2-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide;formic acid.

What is the SMILES notation for cyclobutane;4-fluoro-2-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[[1-[2-[1-[[2-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide;formic acid?

The canonical SMILES for cyclobutane;4-fluoro-2-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[[1-[2-[1-[[2-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide;formic acid is C1CCC1.CNC(=O)CCC(C=O)N(C)C(=O)c1cc(N2CCN(CC3CCN(CCOC4CCN(Cc5cc(C(F)(F)F)c6cn(-c7cccc(Cc8nncn8C)c7)c(=O)n6c5)CC4)CC3)CC2)c(F)cc1C=O.O=CO.

What is the InChIKey of cyclobutane;4-fluoro-2-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[[1-[2-[1-[[2-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide;formic acid?

The InChIKey is GWTOGQZUVNOYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H63F4N11O6.C4H8.CH2O2/c1-56-48(69)8-7-40(33-68)60(3)49(70)42-27-45(44(52)26-38(42)32-67)64-19-17-63(18-20-64)28-35-9-13-61(14-10-35)21-22-72-41-11-15-62(16-12-41)29-37-24-43(51(53,54)55)46-31-65(50(71)66(46)30-37)39-6-4-5-36(23-39)25-47-58-57-34-59(47)2;1-2-4-3-1;2-1-3/h4-6,23-24,26-27,30-35,40-41H,7-22,25,28-29H2,1-3H3,(H,56,69);1-4H2;1H,(H,2,3).

What are the key properties of cyclobutane;4-fluoro-2-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[[1-[2-[1-[[2-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide;formic acid?

cyclobutane;4-fluoro-2-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[[1-[2-[1-[[2-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide;formic acid has a molecular weight of 1104.26 g/mol, XLogP of 5.72, 19 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutane;4-fluoro-2-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[[1-[2-[1-[[2-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]oxyethyl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide;formic acid is sourced from PubChem (CID 171511008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).