N-[2-[1-[[(3S)-1-[2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C41H45N9O7 — CID 167250753

About N-[2-[1-[[(3S)-1-[2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[1-[[(3S)-1-[2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167250753) has the molecular formula C41H45N9O7 and a molecular weight of 775.87 g/mol. Its IUPAC name is N-[2-[1-[[(3S)-1-[2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-[[(3S)-1-[2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 167250753
• Molecular Formula: C41H45N9O7
• Molecular Weight: 775.87 g/mol
• Exact Mass: 775.34
• IUPAC Name: N-[2-[1-[[(3S)-1-[2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)Oc1cc2c(cc1NC(=O)c1cnn3cccnc13)CN(C1CCN(C[C@@H]3CCN(c4ccc5c(c4)C(=O)N(C4CCC(O)NC4=O)C5=O)C3)CC1)C2=O
• InChI: InChI=1S/C41H45N9O7/c1-23(2)57-34-18-29-25(16-32(34)44-37(52)31-19-43-49-12-3-11-42-36(31)49)22-48(39(29)54)26-9-13-46(14-10-26)20-24-8-15-47(21-24)27-4-5-28-30(17-27)41(56)50(40(28)55)33-6-7-35(51)45-38(33)53/h3-5,11-12,16-19,23-24,26,33,35,51H,6-10,13-15,20-22H2,1-2H3,(H,44,52)(H,45,53)/t24-,33?,35?/m0/s1
• InChIKey: PIBYYBJQOFSTNF-IOGWOWBYSA-N
• XLogP: 2.91
• TPSA: 182.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.87
LogP ≤ 5	2.91
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-[[(3S)-1-[2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[2-[1-[[(3S)-1-[2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167250753) is N-[2-[1-[[(3S)-1-[2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[2-[1-[[(3S)-1-[2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[2-[1-[[(3S)-1-[2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)Oc1cc2c(cc1NC(=O)c1cnn3cccnc13)CN(C1CCN(C[C@@H]3CCN(c4ccc5c(c4)C(=O)N(C4CCC(O)NC4=O)C5=O)C3)CC1)C2=O.

What is the InChIKey of N-[2-[1-[[(3S)-1-[2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is PIBYYBJQOFSTNF-IOGWOWBYSA-N. The full InChI is InChI=1S/C41H45N9O7/c1-23(2)57-34-18-29-25(16-32(34)44-37(52)31-19-43-49-12-3-11-42-36(31)49)22-48(39(29)54)26-9-13-46(14-10-26)20-24-8-15-47(21-24)27-4-5-28-30(17-27)41(56)50(40(28)55)33-6-7-35(51)45-38(33)53/h3-5,11-12,16-19,23-24,26,33,35,51H,6-10,13-15,20-22H2,1-2H3,(H,44,52)(H,45,53)/t24-,33?,35?/m0/s1.

What are the key properties of N-[2-[1-[[(3S)-1-[2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[2-[1-[[(3S)-1-[2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 775.87 g/mol, XLogP of 2.91, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[[(3S)-1-[2-(6-hydroxy-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167250753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).