1-[4-(cyclopentylamino)-5-[1-[4-[[4-[[4-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]methyl]cyclohexyl]triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

C43H50N12O2 — CID 171406459

About 1-[4-(cyclopentylamino)-5-[1-[4-[[4-[[4-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]methyl]cyclohexyl]triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

1-[4-(cyclopentylamino)-5-[1-[4-[[4-[[4-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]methyl]cyclohexyl]triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 171406459) has the molecular formula C43H50N12O2 and a molecular weight of 766.96 g/mol. Its IUPAC name is 1-[4-(cyclopentylamino)-5-[1-[4-[[4-[[4-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]methyl]cyclohexyl]triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 1-[4-(cyclopentylamino)-5-[1-[4-[[4-[[4-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]methyl]cyclohexyl]triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
• PubChem CID: 171406459
• Molecular Formula: C43H50N12O2
• Molecular Weight: 766.96 g/mol
• Exact Mass: 766.42
• IUPAC Name: 1-[4-(cyclopentylamino)-5-[1-[4-[[4-[[4-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]methyl]cyclohexyl]triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
• SMILES: N#Cc1cnc2c(cnn2-c2cc(NC3CCCC3)c(-c3cn(C4CCC(CN5CCC(CNc6ccc(C7CCC(=O)NC7=O)cc6)CC5)CC4)nn3)cn2)c1
• InChI: InChI=1S/C43H50N12O2/c44-21-30-19-32-24-48-55(42(32)47-23-30)40-20-38(49-34-3-1-2-4-34)37(25-46-40)39-27-54(52-51-39)35-11-5-29(6-12-35)26-53-17-15-28(16-18-53)22-45-33-9-7-31(8-10-33)36-13-14-41(56)50-43(36)57/h7-10,19-20,23-25,27-29,34-36,45H,1-6,11-18,22,26H2,(H,46,49)(H,50,56,57)
• InChIKey: WBHVOQBAASYMJE-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 171.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	766.96
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylamino)-5-[1-[4-[[4-[[4-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]methyl]cyclohexyl]triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?

The IUPAC name of 1-[4-(cyclopentylamino)-5-[1-[4-[[4-[[4-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]methyl]cyclohexyl]triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 171406459) is 1-[4-(cyclopentylamino)-5-[1-[4-[[4-[[4-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]methyl]cyclohexyl]triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

What is the SMILES notation for 1-[4-(cyclopentylamino)-5-[1-[4-[[4-[[4-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]methyl]cyclohexyl]triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?

The canonical SMILES for 1-[4-(cyclopentylamino)-5-[1-[4-[[4-[[4-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]methyl]cyclohexyl]triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is N#Cc1cnc2c(cnn2-c2cc(NC3CCCC3)c(-c3cn(C4CCC(CN5CCC(CNc6ccc(C7CCC(=O)NC7=O)cc6)CC5)CC4)nn3)cn2)c1.

What is the InChIKey of 1-[4-(cyclopentylamino)-5-[1-[4-[[4-[[4-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]methyl]cyclohexyl]triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?

The InChIKey is WBHVOQBAASYMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50N12O2/c44-21-30-19-32-24-48-55(42(32)47-23-30)40-20-38(49-34-3-1-2-4-34)37(25-46-40)39-27-54(52-51-39)35-11-5-29(6-12-35)26-53-17-15-28(16-18-53)22-45-33-9-7-31(8-10-33)36-13-14-41(56)50-43(36)57/h7-10,19-20,23-25,27-29,34-36,45H,1-6,11-18,22,26H2,(H,46,49)(H,50,56,57).

What are the key properties of 1-[4-(cyclopentylamino)-5-[1-[4-[[4-[[4-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]methyl]cyclohexyl]triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?

1-[4-(cyclopentylamino)-5-[1-[4-[[4-[[4-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]methyl]cyclohexyl]triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 766.96 g/mol, XLogP of 6.38, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(cyclopentylamino)-5-[1-[4-[[4-[[4-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]methyl]cyclohexyl]triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 171406459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).