5-[4-[[4-[2-[[7-chloro-8-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-6-yl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C47H49ClN10O5 — CID 176695573

About 5-[4-[[4-[2-[[7-chloro-8-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-6-yl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[4-[[4-[2-[[7-chloro-8-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-6-yl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 176695573) has the molecular formula C47H49ClN10O5 and a molecular weight of 869.43 g/mol. Its IUPAC name is 5-[4-[[4-[2-[[7-chloro-8-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-6-yl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[4-[[4-[2-[[7-chloro-8-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-6-yl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 176695573
• Molecular Formula: C47H49ClN10O5
• Molecular Weight: 869.43 g/mol
• Exact Mass: 868.36
• IUPAC Name: 5-[4-[[4-[2-[[7-chloro-8-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-6-yl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: Cc1ccncc1-c1cc2cc(Nc3cc4n(n3)CC(=O)N(C3CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC3)CC4)ncc2c(C)c1Cl
• InChI: InChI=1S/C47H49ClN10O5/c1-27-7-13-49-23-37(27)35-19-30-20-40(50-24-38(30)28(2)44(35)48)51-41-22-33-12-18-56(43(60)26-57(33)53-41)31-10-14-54(15-11-31)25-29-8-16-55(17-9-29)32-3-4-34-36(21-32)47(63)58(46(34)62)39-5-6-42(59)52-45(39)61/h3-4,7,13,19-24,29,31,39H,5-6,8-12,14-18,25-26H2,1-2H3,(H,50,51,53)(H,52,59,61)
• InChIKey: VOSLYODQZNDQDI-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 165.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	869.43
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
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 5-[4-[[4-[2-[[7-chloro-8-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-6-yl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[4-[[4-[2-[[7-chloro-8-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-6-yl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 176695573) is 5-[4-[[4-[2-[[7-chloro-8-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-6-yl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[4-[[4-[2-[[7-chloro-8-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-6-yl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[4-[[4-[2-[[7-chloro-8-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-6-yl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is Cc1ccncc1-c1cc2cc(Nc3cc4n(n3)CC(=O)N(C3CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC3)CC4)ncc2c(C)c1Cl.

What is the InChIKey of 5-[4-[[4-[2-[[7-chloro-8-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-6-yl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is VOSLYODQZNDQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H49ClN10O5/c1-27-7-13-49-23-37(27)35-19-30-20-40(50-24-38(30)28(2)44(35)48)51-41-22-33-12-18-56(43(60)26-57(33)53-41)31-10-14-54(15-11-31)25-29-8-16-55(17-9-29)32-3-4-34-36(21-32)47(63)58(46(34)62)39-5-6-42(59)52-45(39)61/h3-4,7,13,19-24,29,31,39H,5-6,8-12,14-18,25-26H2,1-2H3,(H,50,51,53)(H,52,59,61).

What are the key properties of 5-[4-[[4-[2-[[7-chloro-8-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-6-yl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[4-[[4-[2-[[7-chloro-8-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-6-yl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 869.43 g/mol, XLogP of 5.67, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[4-[2-[[7-chloro-8-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-7-oxo-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-6-yl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 176695573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).