N-[6-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C39H40N10O7 — CID 166536770

About N-[6-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166536770) has the molecular formula C39H40N10O7 and a molecular weight of 760.81 g/mol. Its IUPAC name is N-[6-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 166536770
• Molecular Formula: C39H40N10O7
• Molecular Weight: 760.81 g/mol
• Exact Mass: 760.31
• IUPAC Name: N-[6-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)Oc1nc2c(cc1NC(=O)c1cnn3cccnc13)CN(C1CCN(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC1)C2=O
• InChI: InChI=1S/C39H40N10O7/c1-21(2)56-36-29(42-34(51)28-16-41-48-11-3-10-40-33(28)48)14-23-20-47(39(55)32(23)44-36)24-8-12-45(13-9-24)17-22-18-46(19-22)25-4-5-26-27(15-25)38(54)49(37(26)53)30-6-7-31(50)43-35(30)52/h3-5,10-11,14-16,21-22,24,30H,6-9,12-13,17-20H2,1-2H3,(H,42,51)(H,43,50,52)
• InChIKey: UKQVTPLGWSCCNK-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 191.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.81
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
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 N-[6-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[6-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166536770) is N-[6-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[6-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[6-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)Oc1nc2c(cc1NC(=O)c1cnn3cccnc13)CN(C1CCN(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC1)C2=O.

What is the InChIKey of N-[6-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is UKQVTPLGWSCCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40N10O7/c1-21(2)56-36-29(42-34(51)28-16-41-48-11-3-10-40-33(28)48)14-23-20-47(39(55)32(23)44-36)24-8-12-45(13-9-24)17-22-18-46(19-22)25-4-5-26-27(15-25)38(54)49(37(26)53)30-6-7-31(50)43-35(30)52/h3-5,10-11,14-16,21-22,24,30H,6-9,12-13,17-20H2,1-2H3,(H,42,51)(H,43,50,52).

What are the key properties of N-[6-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[6-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 760.81 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166536770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).