3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione

C38H43Cl2N7O5 — CID 164720229

About 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione

3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione (PubChem CID 164720229) has the molecular formula C38H43Cl2N7O5 and a molecular weight of 748.71 g/mol. Its IUPAC name is 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione
• PubChem CID: 164720229
• Molecular Formula: C38H43Cl2N7O5
• Molecular Weight: 748.71 g/mol
• Exact Mass: 747.27
• IUPAC Name: 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(Cl)c1CC1CCN(CC(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3Cl)CC2)CC1
• InChI: InChI=1S/C38H43Cl2N7O5/c1-45-20-29(28-19-41-44-36(28)38(45)51)24-16-30(39)27(33(17-24)52-2)15-22-7-11-46(12-8-22)21-35(49)47-13-9-23(10-14-47)26-4-3-25(18-31(26)40)42-32-5-6-34(48)43-37(32)50/h3-4,16-20,22-23,32,42H,5-15,21H2,1-2H3,(H,41,44)(H,43,48,50)
• InChIKey: NMNLNPFBKOYTHB-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 141.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.71
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione?

The IUPAC name of 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione (CID 164720229) is 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione.

What is the SMILES notation for 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione?

The canonical SMILES for 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(Cl)c1CC1CCN(CC(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3Cl)CC2)CC1.

What is the InChIKey of 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione?

The InChIKey is NMNLNPFBKOYTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43Cl2N7O5/c1-45-20-29(28-19-41-44-36(28)38(45)51)24-16-30(39)27(33(17-24)52-2)15-22-7-11-46(12-8-22)21-35(49)47-13-9-23(10-14-47)26-4-3-25(18-31(26)40)42-32-5-6-34(48)43-37(32)50/h3-4,16-20,22-23,32,42H,5-15,21H2,1-2H3,(H,41,44)(H,43,48,50).

What are the key properties of 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione?

3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione has a molecular weight of 748.71 g/mol, XLogP of 5.12, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-chloro-4-[1-[2-[4-[[2-chloro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-1-yl]acetyl]piperidin-4-yl]anilino]piperidine-2,6-dione is sourced from PubChem (CID 164720229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).