(3R)-3-[6-[4-[4-[4-[1-[[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C56H60F3N11O6 — CID 171511292

About (3R)-3-[6-[4-[4-[4-[1-[[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

(3R)-3-[6-[4-[4-[4-[1-[[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 171511292) has the molecular formula C56H60F3N11O6 and a molecular weight of 1040.16 g/mol. Its IUPAC name is (3R)-3-[6-[4-[4-[4-[1-[[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: (3R)-3-[6-[4-[4-[4-[1-[[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 171511292
• Molecular Formula: C56H60F3N11O6
• Molecular Weight: 1040.16 g/mol
• Exact Mass: 1039.47
• IUPAC Name: (3R)-3-[6-[4-[4-[4-[1-[[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: Cn1cnnc1CC1(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCC(C6CCN(C(=O)c7ccc(N8CCN(c9ccc%10c(c9)CN([C@@H]9CCC(=O)NC9=O)C%10=O)CC8)cc7)CC6)CC5)cn4c3=O)c2)COC1
• InChI: InChI=1S/C56H60F3N11O6/c1-63-35-60-62-49(63)28-55(33-76-34-55)41-3-2-4-44(27-41)68-32-48-46(56(57,58)59)25-36(30-70(48)54(68)75)29-64-17-13-37(14-18-64)38-15-19-67(20-16-38)52(73)39-5-7-42(8-6-39)65-21-23-66(24-22-65)43-9-10-45-40(26-43)31-69(53(45)74)47-11-12-50(71)61-51(47)72/h2-10,25-27,30,32,35,37-38,47H,11-24,28-29,31,33-34H2,1H3,(H,61,71,72)/t47-/m1/s1
• InChIKey: PNPCISMCCHMGBG-QZNUWAOFSA-N
• XLogP: 5.60
• TPSA: 162.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1040.16
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[6-[4-[4-[4-[1-[[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of (3R)-3-[6-[4-[4-[4-[1-[[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 171511292) is (3R)-3-[6-[4-[4-[4-[1-[[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for (3R)-3-[6-[4-[4-[4-[1-[[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for (3R)-3-[6-[4-[4-[4-[1-[[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cn1cnnc1CC1(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CCC(C6CCN(C(=O)c7ccc(N8CCN(c9ccc%10c(c9)CN([C@@H]9CCC(=O)NC9=O)C%10=O)CC8)cc7)CC6)CC5)cn4c3=O)c2)COC1.

What is the InChIKey of (3R)-3-[6-[4-[4-[4-[1-[[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is PNPCISMCCHMGBG-QZNUWAOFSA-N. The full InChI is InChI=1S/C56H60F3N11O6/c1-63-35-60-62-49(63)28-55(33-76-34-55)41-3-2-4-44(27-41)68-32-48-46(56(57,58)59)25-36(30-70(48)54(68)75)29-64-17-13-37(14-18-64)38-15-19-67(20-16-38)52(73)39-5-7-42(8-6-39)65-21-23-66(24-22-65)43-9-10-45-40(26-43)31-69(53(45)74)47-11-12-50(71)61-51(47)72/h2-10,25-27,30,32,35,37-38,47H,11-24,28-29,31,33-34H2,1H3,(H,61,71,72)/t47-/m1/s1.

What are the key properties of (3R)-3-[6-[4-[4-[4-[1-[[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

(3R)-3-[6-[4-[4-[4-[1-[[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 1040.16 g/mol, XLogP of 5.60, 11 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[6-[4-[4-[4-[1-[[2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]piperidin-4-yl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 171511292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).