2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole

C15H18BrN7S — CID 133476702

IUPAC2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2ncnc3c2c(Br)nn3C)CC1
InChIInChI=1S/C15H18BrN7S/c1-10(15-17-3-8-24-15)22-4-6-23(7-5-22)14-11-12(16)20-21(2)13(11)18-9-19-14/h3,8-10H,4-7H2,1-2H3
InChIKeyULZYPDKNSBBMLR-UHFFFAOYSA-N
MW408.33 g/mol
LogP2.47
Rot. Bonds3

About 2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole

2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole (PubChem CID 133476702) has the molecular formula C15H18BrN7S and a molecular weight of 408.33 g/mol. Its IUPAC name is 2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
PubChem CID133476702
Molecular FormulaC15H18BrN7S
Molecular Weight408.33 g/mol
Exact Mass407.05
IUPAC Name2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2ncnc3c2c(Br)nn3C)CC1
InChIInChI=1S/C15H18BrN7S/c1-10(15-17-3-8-24-15)22-4-6-23(7-5-22)14-11-12(16)20-21(2)13(11)18-9-19-14/h3,8-10H,4-7H2,1-2H3
InChIKeyULZYPDKNSBBMLR-UHFFFAOYSA-N
XLogP2.47
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 96541906
2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476564
3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 133380766
2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476367
2-[1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476438
2-[1-[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476450
5-tert-butyl-3-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole
CID 133476421
2-[1-[4-(3-bromo-5-nitro-4-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476609
2-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422516
2-[1-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476665
2-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347782
2-methyl-4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 133476643

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole (CID 133476702) is 2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole is CC(c1nccs1)N1CCN(c2ncnc3c2c(Br)nn3C)CC1.
What is the InChIKey of 2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is ULZYPDKNSBBMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN7S/c1-10(15-17-3-8-24-15)22-4-6-23(7-5-22)14-11-12(16)20-21(2)13(11)18-9-19-14/h3,8-10H,4-7H2,1-2H3.
What are the key properties of 2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole?
2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 408.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 133476702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).