N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C40H46N10O5 — CID 166468243

About N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166468243) has the molecular formula C40H46N10O5 and a molecular weight of 746.87 g/mol. Its IUPAC name is N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 166468243
• Molecular Formula: C40H46N10O5
• Molecular Weight: 746.87 g/mol
• Exact Mass: 746.37
• IUPAC Name: N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)Oc1cc2nc(C3CCN(CC(=O)N4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)CC3)cn2cc1NC(=O)c1cnn2cccnc12
• InChI: InChI=1S/C40H46N10O5/c1-25(2)55-34-20-35-44-32(22-49(35)23-33(34)45-39(53)30-21-42-50-15-3-14-41-38(30)50)28-10-16-47(17-11-28)24-37(52)48-18-12-27(13-19-48)26-4-6-29(7-5-26)43-31-8-9-36(51)46-40(31)54/h3-7,14-15,20-23,25,27-28,31,43H,8-13,16-19,24H2,1-2H3,(H,45,53)(H,46,51,54)
• InChIKey: VGVFZDMMSJTQGL-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 167.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.87
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	3
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 N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166468243) is N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)Oc1cc2nc(C3CCN(CC(=O)N4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)CC3)cn2cc1NC(=O)c1cnn2cccnc12.

What is the InChIKey of N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is VGVFZDMMSJTQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46N10O5/c1-25(2)55-34-20-35-44-32(22-49(35)23-33(34)45-39(53)30-21-42-50-15-3-14-41-38(30)50)28-10-16-47(17-11-28)24-37(52)48-18-12-27(13-19-48)26-4-6-29(7-5-26)43-31-8-9-36(51)46-40(31)54/h3-7,14-15,20-23,25,27-28,31,43H,8-13,16-19,24H2,1-2H3,(H,45,53)(H,46,51,54).

What are the key properties of N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 746.87 g/mol, XLogP of 4.22, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166468243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).