1-(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-6-oxohexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]urea

C43H48N12O6 — CID 169161505

IUPAC1-(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-6-oxohexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]urea
SMILESCc1cc(NC(=O)Nc2cnc3ccnn3c2C2CCCC2)cnc1-c1nnc(CCCCCC(=O)N2CCN(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)o1
InChIInChI=1S/C43H48N12O6/c1-26-21-29(47-43(60)48-32-24-44-34-15-16-46-55(34)39(32)27-7-5-6-8-27)23-45-38(26)41-51-50-36(61-41)9-3-2-4-10-37(57)53-19-17-52(18-20-53)30-11-12-31-28(22-30)25-54(42(31)59)33-13-14-35(56)49-40(33)58/h11-12,15-16,21-24,27,33H,2-10,13-14,17-20,25H2,1H3,(H2,47,48,60)(H,49,56,58)
InChIKeyRSBGAGNPDMXWGV-UHFFFAOYSA-N
MW828.93 g/mol
LogP5.00
Rot. Bonds12

About 1-(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-6-oxohexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]urea

1-(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-6-oxohexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]urea (PubChem CID 169161505) has the molecular formula C43H48N12O6 and a molecular weight of 828.93 g/mol. Its IUPAC name is 1-(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-6-oxohexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-6-oxohexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]urea
PubChem CID169161505
Molecular FormulaC43H48N12O6
Molecular Weight828.93 g/mol
Exact Mass828.38
IUPAC Name1-(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-6-oxohexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]urea
SMILESCc1cc(NC(=O)Nc2cnc3ccnn3c2C2CCCC2)cnc1-c1nnc(CCCCCC(=O)N2CCN(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)o1
InChIInChI=1S/C43H48N12O6/c1-26-21-29(47-43(60)48-32-24-44-34-15-16-46-55(34)39(32)27-7-5-6-8-27)23-45-38(26)41-51-50-36(61-41)9-3-2-4-10-37(57)53-19-17-52(18-20-53)30-11-12-31-28(22-30)25-54(42(31)59)33-13-14-35(56)49-40(33)58/h11-12,15-16,21-24,27,33H,2-10,13-14,17-20,25H2,1H3,(H2,47,48,60)(H,49,56,58)
InChIKeyRSBGAGNPDMXWGV-UHFFFAOYSA-N
XLogP5.00
TPSA213.16 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.93
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-6-oxohexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-6-oxohexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]urea?
The IUPAC name of 1-(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-6-oxohexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]urea (CID 169161505) is 1-(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-6-oxohexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]urea.
What is the SMILES notation for 1-(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-6-oxohexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]urea?
The canonical SMILES for 1-(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-6-oxohexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]urea is Cc1cc(NC(=O)Nc2cnc3ccnn3c2C2CCCC2)cnc1-c1nnc(CCCCCC(=O)N2CCN(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)o1.
What is the InChIKey of 1-(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-6-oxohexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]urea?
The InChIKey is RSBGAGNPDMXWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48N12O6/c1-26-21-29(47-43(60)48-32-24-44-34-15-16-46-55(34)39(32)27-7-5-6-8-27)23-45-38(26)41-51-50-36(61-41)9-3-2-4-10-37(57)53-19-17-52(18-20-53)30-11-12-31-28(22-30)25-54(42(31)59)33-13-14-35(56)49-40(33)58/h11-12,15-16,21-24,27,33H,2-10,13-14,17-20,25H2,1H3,(H2,47,48,60)(H,49,56,58).
What are the key properties of 1-(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-6-oxohexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]urea?
1-(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-6-oxohexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]urea has a molecular weight of 828.93 g/mol, XLogP of 5.00, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-cyclopentylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[6-[5-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]-6-oxohexyl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]urea is sourced from PubChem (CID 169161505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).