4-[(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclopentanecarbonyl]piperazin-2-one

C24H24BrN9O3 — CID 147435383

IUPAC4-[(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclopentanecarbonyl]piperazin-2-one
SMILESCc1nnc(-c2ccc(-n3nc(Br)c4cnc(N[C@@H]5CC[C@@H](C(=O)N6CCNC(=O)C6)C5)nc43)cc2)o1
InChIInChI=1S/C24H24BrN9O3/c1-13-30-31-22(37-13)14-3-6-17(7-4-14)34-21-18(20(25)32-34)11-27-24(29-21)28-16-5-2-15(10-16)23(36)33-9-8-26-19(35)12-33/h3-4,6-7,11,15-16H,2,5,8-10,12H2,1H3,(H,26,35)(H,27,28,29)/t15-,16-/m1/s1
InChIKeyDVDXWZRTIPTXBT-HZPDHXFCSA-N
MW566.42 g/mol
LogP2.48
Rot. Bonds5

About 4-[(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclopentanecarbonyl]piperazin-2-one

4-[(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclopentanecarbonyl]piperazin-2-one (PubChem CID 147435383) has the molecular formula C24H24BrN9O3 and a molecular weight of 566.42 g/mol. Its IUPAC name is 4-[(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclopentanecarbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclopentanecarbonyl]piperazin-2-one
PubChem CID147435383
Molecular FormulaC24H24BrN9O3
Molecular Weight566.42 g/mol
Exact Mass565.12
IUPAC Name4-[(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclopentanecarbonyl]piperazin-2-one
SMILESCc1nnc(-c2ccc(-n3nc(Br)c4cnc(N[C@@H]5CC[C@@H](C(=O)N6CCNC(=O)C6)C5)nc43)cc2)o1
InChIInChI=1S/C24H24BrN9O3/c1-13-30-31-22(37-13)14-3-6-17(7-4-14)34-21-18(20(25)32-34)11-27-24(29-21)28-16-5-2-15(10-16)23(36)33-9-8-26-19(35)12-33/h3-4,6-7,11,15-16H,2,5,8-10,12H2,1H3,(H,26,35)(H,27,28,29)/t15-,16-/m1/s1
InChIKeyDVDXWZRTIPTXBT-HZPDHXFCSA-N
XLogP2.48
TPSA143.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclopentanecarbonyl]piperazin-2-one 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 4-[(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclopentanecarbonyl]piperazin-2-one?
The IUPAC name of 4-[(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclopentanecarbonyl]piperazin-2-one (CID 147435383) is 4-[(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclopentanecarbonyl]piperazin-2-one.
What is the SMILES notation for 4-[(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclopentanecarbonyl]piperazin-2-one?
The canonical SMILES for 4-[(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclopentanecarbonyl]piperazin-2-one is Cc1nnc(-c2ccc(-n3nc(Br)c4cnc(N[C@@H]5CC[C@@H](C(=O)N6CCNC(=O)C6)C5)nc43)cc2)o1.
What is the InChIKey of 4-[(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclopentanecarbonyl]piperazin-2-one?
The InChIKey is DVDXWZRTIPTXBT-HZPDHXFCSA-N. The full InChI is InChI=1S/C24H24BrN9O3/c1-13-30-31-22(37-13)14-3-6-17(7-4-14)34-21-18(20(25)32-34)11-27-24(29-21)28-16-5-2-15(10-16)23(36)33-9-8-26-19(35)12-33/h3-4,6-7,11,15-16H,2,5,8-10,12H2,1H3,(H,26,35)(H,27,28,29)/t15-,16-/m1/s1.
What are the key properties of 4-[(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclopentanecarbonyl]piperazin-2-one?
4-[(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclopentanecarbonyl]piperazin-2-one has a molecular weight of 566.42 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]cyclopentanecarbonyl]piperazin-2-one is sourced from PubChem (CID 147435383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).