cyclobutane;N-methylformamide;2-[6-[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]-3-oxo-1H-isoindol-2-yl]pentanal

C55H74F3N11O5 — CID 171511254

About cyclobutane;N-methylformamide;2-[6-[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]-3-oxo-1H-isoindol-2-yl]pentanal

cyclobutane;N-methylformamide;2-[6-[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]-3-oxo-1H-isoindol-2-yl]pentanal (PubChem CID 171511254) has the molecular formula C55H74F3N11O5 and a molecular weight of 1026.26 g/mol. Its IUPAC name is cyclobutane;N-methylformamide;2-[6-[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]-3-oxo-1H-isoindol-2-yl]pentanal.

Molecular Properties

• Compound Name: cyclobutane;N-methylformamide;2-[6-[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]-3-oxo-1H-isoindol-2-yl]pentanal
• PubChem CID: 171511254
• Molecular Formula: C55H74F3N11O5
• Molecular Weight: 1026.26 g/mol
• Exact Mass: 1025.58
• IUPAC Name: cyclobutane;N-methylformamide;2-[6-[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]-3-oxo-1H-isoindol-2-yl]pentanal
• SMILES: C1CCC1.CCCC(C=O)N1Cc2cc(N3CCN(CC4CCN(CCOC5CCN(Cc6cc(C(F)(F)F)c7cn(-c8cccc(Cc9nncn9C)c8)c(=O)n7c6)CC5)CC4)CC3)ccc2C1=O.CNC=O
• InChI: InChI=1S/C49H61F3N10O4.C4H8.C2H5NO/c1-3-5-41(33-63)60-31-38-27-39(8-9-43(38)47(60)64)59-20-18-58(19-21-59)28-35-10-14-56(15-11-35)22-23-66-42-12-16-57(17-13-42)29-37-25-44(49(50,51)52)45-32-61(48(65)62(45)30-37)40-7-4-6-36(24-40)26-46-54-53-34-55(46)2;1-2-4-3-1;1-3-2-4/h4,6-9,24-25,27,30,32-35,41-42H,3,5,10-23,26,28-29,31H2,1-2H3;1-4H2;2H,1H3,(H,3,4)
• InChIKey: CKARBYMGDOJXKT-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 145.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1026.26
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclobutane;N-methylformamide;2-[6-[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]-3-oxo-1H-isoindol-2-yl]pentanal?

The IUPAC name of cyclobutane;N-methylformamide;2-[6-[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]-3-oxo-1H-isoindol-2-yl]pentanal (CID 171511254) is cyclobutane;N-methylformamide;2-[6-[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]-3-oxo-1H-isoindol-2-yl]pentanal.

What is the SMILES notation for cyclobutane;N-methylformamide;2-[6-[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]-3-oxo-1H-isoindol-2-yl]pentanal?

The canonical SMILES for cyclobutane;N-methylformamide;2-[6-[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]-3-oxo-1H-isoindol-2-yl]pentanal is C1CCC1.CCCC(C=O)N1Cc2cc(N3CCN(CC4CCN(CCOC5CCN(Cc6cc(C(F)(F)F)c7cn(-c8cccc(Cc9nncn9C)c8)c(=O)n7c6)CC5)CC4)CC3)ccc2C1=O.CNC=O.

What is the InChIKey of cyclobutane;N-methylformamide;2-[6-[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]-3-oxo-1H-isoindol-2-yl]pentanal?

The InChIKey is CKARBYMGDOJXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H61F3N10O4.C4H8.C2H5NO/c1-3-5-41(33-63)60-31-38-27-39(8-9-43(38)47(60)64)59-20-18-58(19-21-59)28-35-10-14-56(15-11-35)22-23-66-42-12-16-57(17-13-42)29-37-25-44(49(50,51)52)45-32-61(48(65)62(45)30-37)40-7-4-6-36(24-40)26-46-54-53-34-55(46)2;1-2-4-3-1;1-3-2-4/h4,6-9,24-25,27,30,32-35,41-42H,3,5,10-23,26,28-29,31H2,1-2H3;1-4H2;2H,1H3,(H,3,4).

What are the key properties of cyclobutane;N-methylformamide;2-[6-[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]-3-oxo-1H-isoindol-2-yl]pentanal?

cyclobutane;N-methylformamide;2-[6-[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]-3-oxo-1H-isoindol-2-yl]pentanal has a molecular weight of 1026.26 g/mol, XLogP of 6.59, 17 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutane;N-methylformamide;2-[6-[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]-3-oxo-1H-isoindol-2-yl]pentanal is sourced from PubChem (CID 171511254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).