2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyridine-6-carboxamide

C40H45N9O5 — CID 166472405

About 2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyridine-6-carboxamide

2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 166472405) has the molecular formula C40H45N9O5 and a molecular weight of 731.86 g/mol. Its IUPAC name is 2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 166472405
• Molecular Formula: C40H45N9O5
• Molecular Weight: 731.86 g/mol
• Exact Mass: 731.35
• IUPAC Name: 2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CC(C)Oc1cc2nc(C3CCN(C(=O)CN4CCC(c5ccc(C6CCC(=O)NC6=O)cc5)CC4)CC3)cn2cc1C(=O)Nc1cnn2cccnc12
• InChI: InChI=1S/C40H45N9O5/c1-25(2)54-34-20-35-43-33(23-48(35)22-31(34)40(53)44-32-21-42-49-15-3-14-41-38(32)49)29-12-18-47(19-13-29)37(51)24-46-16-10-27(11-17-46)26-4-6-28(7-5-26)30-8-9-36(50)45-39(30)52/h3-7,14-15,20-23,25,27,29-30H,8-13,16-19,24H2,1-2H3,(H,44,53)(H,45,50,52)
• InChIKey: BTFBBNCERDULMZ-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 155.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.86
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
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 2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyridine-6-carboxamide (CID 166472405) is 2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyridine-6-carboxamide is CC(C)Oc1cc2nc(C3CCN(C(=O)CN4CCC(c5ccc(C6CCC(=O)NC6=O)cc5)CC4)CC3)cn2cc1C(=O)Nc1cnn2cccnc12.

What is the InChIKey of 2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is BTFBBNCERDULMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H45N9O5/c1-25(2)54-34-20-35-43-33(23-48(35)22-31(34)40(53)44-32-21-42-49-15-3-14-41-38(32)49)29-12-18-47(19-13-29)37(51)24-46-16-10-27(11-17-46)26-4-6-28(7-5-26)30-8-9-36(50)45-39(30)52/h3-7,14-15,20-23,25,27,29-30H,8-13,16-19,24H2,1-2H3,(H,44,53)(H,45,50,52).

What are the key properties of 2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyridine-6-carboxamide?

2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 731.86 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 166472405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).