2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol

C13H18BrN5O2 — CID 133315305

IUPAC2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol
SMILESCn1nc(Br)c2c(N3CCCC(OCCO)C3)ncnc21
InChIInChI=1S/C13H18BrN5O2/c1-18-12-10(11(14)17-18)13(16-8-15-12)19-4-2-3-9(7-19)21-6-5-20/h8-9,20H,2-7H2,1H3
InChIKeyNMGPETWMDXCWAN-UHFFFAOYSA-N
MW356.22 g/mol
LogP1.10
Rot. Bonds4

About 2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol

2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol (PubChem CID 133315305) has the molecular formula C13H18BrN5O2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol
PubChem CID133315305
Molecular FormulaC13H18BrN5O2
Molecular Weight356.22 g/mol
Exact Mass355.06
IUPAC Name2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol
SMILESCn1nc(Br)c2c(N3CCCC(OCCO)C3)ncnc21
InChIInChI=1S/C13H18BrN5O2/c1-18-12-10(11(14)17-18)13(16-8-15-12)19-4-2-3-9(7-19)21-6-5-20/h8-9,20H,2-7H2,1H3
InChIKeyNMGPETWMDXCWAN-UHFFFAOYSA-N
XLogP1.10
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 133380766
2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol
CID 133315289
3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 71851221
tert-butyl (2R)-4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 133499530
4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(furan-2-yl)morpholine
CID 133347170
4-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444242
1,3,6-trimethyl-4-[(3R)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95882991
4-chloro-6-(3-propoxypiperidin-1-yl)pyrimidin-5-amine
CID 63022907
4-(4-benzyl-3-propylpiperazin-1-yl)-3-bromo-1-methylpyrazolo[5,4-d]pyrimidine
CID 133435764
3-bromo-4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 133480597
(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-(6-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 114072620

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol?
The IUPAC name of 2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol (CID 133315305) is 2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol?
The canonical SMILES for 2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol is Cn1nc(Br)c2c(N3CCCC(OCCO)C3)ncnc21.
What is the InChIKey of 2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol?
The InChIKey is NMGPETWMDXCWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O2/c1-18-12-10(11(14)17-18)13(16-8-15-12)19-4-2-3-9(7-19)21-6-5-20/h8-9,20H,2-7H2,1H3.
What are the key properties of 2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol?
2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol has a molecular weight of 356.22 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]oxyethanol is sourced from PubChem (CID 133315305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).