cyclobutane;3-[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]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C53H64F3N11O5 — CID 171511094

About cyclobutane;3-[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]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

cyclobutane;3-[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]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 171511094) has the molecular formula C53H64F3N11O5 and a molecular weight of 992.16 g/mol. Its IUPAC name is cyclobutane;3-[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]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: cyclobutane;3-[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]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 171511094
• Molecular Formula: C53H64F3N11O5
• Molecular Weight: 992.16 g/mol
• Exact Mass: 991.50
• IUPAC Name: cyclobutane;3-[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]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: C1CCC1.Cn1cnnc1Cc1cccc(-n2cc3c(C(F)(F)F)cc(CN4CCC(CC(=O)N5CCC(CN6CCN(c7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)CC6)CC5)CC4)cn3c2=O)c1
• InChI: InChI=1S/C49H56F3N11O5.C4H8/c1-56-31-53-55-43(56)23-34-3-2-4-38(21-34)61-30-42-40(49(50,51)52)22-35(28-63(42)48(61)68)27-57-13-9-32(10-14-57)24-45(65)60-15-11-33(12-16-60)26-58-17-19-59(20-18-58)37-5-6-39-36(25-37)29-62(47(39)67)41-7-8-44(64)54-46(41)66;1-2-4-3-1/h2-6,21-22,25,28,30-33,41H,7-20,23-24,26-27,29H2,1H3,(H,54,64,66);1-4H2
• InChIKey: RJIUMGHUJHZTDB-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 153.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	992.16
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclobutane;3-[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]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of cyclobutane;3-[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]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 171511094) is cyclobutane;3-[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]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for cyclobutane;3-[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]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for cyclobutane;3-[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]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is C1CCC1.Cn1cnnc1Cc1cccc(-n2cc3c(C(F)(F)F)cc(CN4CCC(CC(=O)N5CCC(CN6CCN(c7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)CC6)CC5)CC4)cn3c2=O)c1.

What is the InChIKey of cyclobutane;3-[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]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is RJIUMGHUJHZTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H56F3N11O5.C4H8/c1-56-31-53-55-43(56)23-34-3-2-4-38(21-34)61-30-42-40(49(50,51)52)22-35(28-63(42)48(61)68)27-57-13-9-32(10-14-57)24-45(65)60-15-11-33(12-16-60)26-58-17-19-59(20-18-58)37-5-6-39-36(25-37)29-62(47(39)67)41-7-8-44(64)54-46(41)66;1-2-4-3-1/h2-6,21-22,25,28,30-33,41H,7-20,23-24,26-27,29H2,1H3,(H,54,64,66);1-4H2.

What are the key properties of cyclobutane;3-[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]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

cyclobutane;3-[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]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 992.16 g/mol, XLogP of 5.81, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutane;3-[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]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 171511094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).