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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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).