4-[8-amino-3-[(2S)-1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylmethyl]phenyl]methyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide

C43H37N9O5S — CID 166472960

About 4-[8-amino-3-[(2S)-1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylmethyl]phenyl]methyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide

4-[8-amino-3-[(2S)-1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylmethyl]phenyl]methyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (PubChem CID 166472960) has the molecular formula C43H37N9O5S and a molecular weight of 791.89 g/mol. Its IUPAC name is 4-[8-amino-3-[(2S)-1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylmethyl]phenyl]methyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.

Molecular Properties

• Compound Name: 4-[8-amino-3-[(2S)-1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylmethyl]phenyl]methyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
• PubChem CID: 166472960
• Molecular Formula: C43H37N9O5S
• Molecular Weight: 791.89 g/mol
• Exact Mass: 791.26
• IUPAC Name: 4-[8-amino-3-[(2S)-1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylmethyl]phenyl]methyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
• SMILES: Nc1nccn2c([C@@H]3CCCN3Cc3ccc(CSc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12
• InChI: InChI=1S/C43H37N9O5S/c44-38-37-36(27-13-15-28(16-14-27)40(54)47-33-8-1-2-19-45-33)49-39(51(37)22-20-46-38)30-6-4-21-50(30)23-25-9-11-26(12-10-25)24-58-32-7-3-5-29-35(32)43(57)52(42(29)56)31-17-18-34(53)48-41(31)55/h1-3,5,7-16,19-20,22,30-31H,4,6,17-18,21,23-24H2,(H2,44,46)(H,45,47,54)(H,48,53,55)/t30-,31?/m0/s1
• InChIKey: FZWQPCXDRTYMEG-FSRLHOSWSA-N
• XLogP: 5.66
• TPSA: 184.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	791.89
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(2S)-1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylmethyl]phenyl]methyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

The IUPAC name of 4-[8-amino-3-[(2S)-1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylmethyl]phenyl]methyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide (CID 166472960) is 4-[8-amino-3-[(2S)-1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylmethyl]phenyl]methyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide.

What is the SMILES notation for 4-[8-amino-3-[(2S)-1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylmethyl]phenyl]methyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

The canonical SMILES for 4-[8-amino-3-[(2S)-1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylmethyl]phenyl]methyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is Nc1nccn2c([C@@H]3CCCN3Cc3ccc(CSc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12.

What is the InChIKey of 4-[8-amino-3-[(2S)-1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylmethyl]phenyl]methyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

The InChIKey is FZWQPCXDRTYMEG-FSRLHOSWSA-N. The full InChI is InChI=1S/C43H37N9O5S/c44-38-37-36(27-13-15-28(16-14-27)40(54)47-33-8-1-2-19-45-33)49-39(51(37)22-20-46-38)30-6-4-21-50(30)23-25-9-11-26(12-10-25)24-58-32-7-3-5-29-35(32)43(57)52(42(29)56)31-17-18-34(53)48-41(31)55/h1-3,5,7-16,19-20,22,30-31H,4,6,17-18,21,23-24H2,(H2,44,46)(H,45,47,54)(H,48,53,55)/t30-,31?/m0/s1.

What are the key properties of 4-[8-amino-3-[(2S)-1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylmethyl]phenyl]methyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide?

4-[8-amino-3-[(2S)-1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylmethyl]phenyl]methyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide has a molecular weight of 791.89 g/mol, XLogP of 5.66, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-3-[(2S)-1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylmethyl]phenyl]methyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 166472960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).