3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine

C16H24BrN5 — CID 71851221

IUPAC3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCC(C)CCC1CCCCN1c1ncnc2c1c(Br)nn2C
InChIInChI=1S/C16H24BrN5/c1-11(2)7-8-12-6-4-5-9-22(12)16-13-14(17)20-21(3)15(13)18-10-19-16/h10-12H,4-9H2,1-3H3
InChIKeyLEOVZKRHQKEQEY-UHFFFAOYSA-N
MW366.31 g/mol
LogP3.92
Rot. Bonds4

About 3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine

3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 71851221) has the molecular formula C16H24BrN5 and a molecular weight of 366.31 g/mol. Its IUPAC name is 3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID71851221
Molecular FormulaC16H24BrN5
Molecular Weight366.31 g/mol
Exact Mass365.12
IUPAC Name3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCC(C)CCC1CCCCN1c1ncnc2c1c(Br)nn2C
InChIInChI=1S/C16H24BrN5/c1-11(2)7-8-12-6-4-5-9-22(12)16-13-14(17)20-21(3)15(13)18-10-19-16/h10-12H,4-9H2,1-3H3
InChIKeyLEOVZKRHQKEQEY-UHFFFAOYSA-N
XLogP3.92
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-1-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56494791
3-Bromo-1-methyl-4-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 133431506
3-bromo-1-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 133486797
N'-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine
CID 53547132
3-bromo-N-ethyl-1-methyl-N-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 56805541
3-bromo-4-[4-(cyclohexylmethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine
CID 11682352
N'-(3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethylmethanimidamide
CID 59633557
N'-(3-bromo-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethylformamidine
CID 68787199
3-bromo-2-isopropyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 71254972
3-bromo-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 71255631
3-bromo-1-[(3R)-1-prop-2-enylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 121352828
3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 121360467

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 71851221) is 3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine is CC(C)CCC1CCCCN1c1ncnc2c1c(Br)nn2C.
What is the InChIKey of 3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is LEOVZKRHQKEQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN5/c1-11(2)7-8-12-6-4-5-9-22(12)16-13-14(17)20-21(3)15(13)18-10-19-16/h10-12H,4-9H2,1-3H3.
What are the key properties of 3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 366.31 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-4-[2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 71851221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).