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]phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C51H52F3N9O5 — CID 171511271

About 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]phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

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]phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 171511271) has the molecular formula C51H52F3N9O5 and a molecular weight of 928.03 g/mol. Its IUPAC name is 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]phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 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]phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 171511271
• Molecular Formula: C51H52F3N9O5
• Molecular Weight: 928.03 g/mol
• Exact Mass: 927.40
• IUPAC Name: 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]phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: Cn1cnnc1Cc1cccc(-n2cc3c(C(F)(F)F)cc(CN4CCC(CC(=O)N5CCC(Cc6ccc(-c7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)cc6)CC5)CC4)cn3c2=O)c1
• InChI: InChI=1S/C51H52F3N9O5/c1-58-31-55-57-45(58)24-35-3-2-4-40(22-35)61-30-44-42(51(52,53)54)23-36(28-63(44)50(61)68)27-59-17-13-34(14-18-59)25-47(65)60-19-15-33(16-20-60)21-32-5-7-37(8-6-32)38-9-10-41-39(26-38)29-62(49(41)67)43-11-12-46(64)56-48(43)66/h2-10,22-23,26,28,30-31,33-34,43H,11-21,24-25,27,29H2,1H3,(H,56,64,66)
• InChIKey: RMYWYCVYXSXHDH-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 147.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	928.03
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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]phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 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]phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 171511271) is 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]phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 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]phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 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]phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cn1cnnc1Cc1cccc(-n2cc3c(C(F)(F)F)cc(CN4CCC(CC(=O)N5CCC(Cc6ccc(-c7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)cc6)CC5)CC4)cn3c2=O)c1.

What is the InChIKey of 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]phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is RMYWYCVYXSXHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H52F3N9O5/c1-58-31-55-57-45(58)24-35-3-2-4-40(22-35)61-30-44-42(51(52,53)54)23-36(28-63(44)50(61)68)27-59-17-13-34(14-18-59)25-47(65)60-19-15-33(16-20-60)21-32-5-7-37(8-6-32)38-9-10-41-39(26-38)29-62(49(41)67)43-11-12-46(64)56-48(43)66/h2-10,22-23,26,28,30-31,33-34,43H,11-21,24-25,27,29H2,1H3,(H,56,64,66).

What are the key properties of 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]phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

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]phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 928.03 g/mol, XLogP of 6.34, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 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]phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 171511271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).