[(1R,3S)-3-[3-[[2-[6-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C37H43N9O7 — CID 170612614

About [(1R,3S)-3-[3-[[2-[6-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1R,3S)-3-[3-[[2-[6-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 170612614) has the molecular formula C37H43N9O7 and a molecular weight of 725.81 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[[2-[6-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [(1R,3S)-3-[3-[[2-[6-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
• PubChem CID: 170612614
• Molecular Formula: C37H43N9O7
• Molecular Weight: 725.81 g/mol
• Exact Mass: 725.33
• IUPAC Name: [(1R,3S)-3-[3-[[2-[6-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
• SMILES: CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3ccc(CN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)n[nH]2)C1
• InChI: InChI=1S/C37H43N9O7/c1-21(2)39-37(52)53-26-7-4-23(16-26)29-18-31(43-42-29)40-33(48)15-22-3-5-24(38-19-22)20-44-11-13-45(14-12-44)25-6-8-27-28(17-25)36(51)46(35(27)50)30-9-10-32(47)41-34(30)49/h3,5-6,8,17-19,21,23,26,30H,4,7,9-16,20H2,1-2H3,(H,39,52)(H,41,47,49)(H2,40,42,43,48)/t23-,26+,30?/m0/s1
• InChIKey: VCLGWLTWSKYYDP-RTTIQSJWSA-N
• XLogP: 2.48
• TPSA: 199.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.81
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	4
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 [(1R,3S)-3-[3-[[2-[6-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The IUPAC name of [(1R,3S)-3-[3-[[2-[6-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 170612614) is [(1R,3S)-3-[3-[[2-[6-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

What is the SMILES notation for [(1R,3S)-3-[3-[[2-[6-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The canonical SMILES for [(1R,3S)-3-[3-[[2-[6-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3ccc(CN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)n[nH]2)C1.

What is the InChIKey of [(1R,3S)-3-[3-[[2-[6-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The InChIKey is VCLGWLTWSKYYDP-RTTIQSJWSA-N. The full InChI is InChI=1S/C37H43N9O7/c1-21(2)39-37(52)53-26-7-4-23(16-26)29-18-31(43-42-29)40-33(48)15-22-3-5-24(38-19-22)20-44-11-13-45(14-12-44)25-6-8-27-28(17-25)36(51)46(35(27)50)30-9-10-32(47)41-34(30)49/h3,5-6,8,17-19,21,23,26,30H,4,7,9-16,20H2,1-2H3,(H,39,52)(H,41,47,49)(H2,40,42,43,48)/t23-,26+,30?/m0/s1.

What are the key properties of [(1R,3S)-3-[3-[[2-[6-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

[(1R,3S)-3-[3-[[2-[6-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 725.81 g/mol, XLogP of 2.48, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3S)-3-[3-[[2-[6-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-pyridinyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 170612614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).