3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine

C15H13Br2N5 — CID 167934366

IUPAC3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESBrc1cncc(C2CCCN2c2ccn3ncc(Br)c3n2)c1
InChIInChI=1S/C15H13Br2N5/c16-11-6-10(7-18-8-11)13-2-1-4-21(13)14-3-5-22-15(20-14)12(17)9-19-22/h3,5-9,13H,1-2,4H2
InChIKeyWLUXYJOFZIUJAR-UHFFFAOYSA-N
MW423.11 g/mol
LogP3.99
Rot. Bonds2

About 3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine

3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 167934366) has the molecular formula C15H13Br2N5 and a molecular weight of 423.11 g/mol. Its IUPAC name is 3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID167934366
Molecular FormulaC15H13Br2N5
Molecular Weight423.11 g/mol
Exact Mass420.95
IUPAC Name3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESBrc1cncc(C2CCCN2c2ccn3ncc(Br)c3n2)c1
InChIInChI=1S/C15H13Br2N5/c16-11-6-10(7-18-8-11)13-2-1-4-21(13)14-3-5-22-15(20-14)12(17)9-19-22/h3,5-9,13H,1-2,4H2
InChIKeyWLUXYJOFZIUJAR-UHFFFAOYSA-N
XLogP3.99
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.11
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 167934366) is 3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine is Brc1cncc(C2CCCN2c2ccn3ncc(Br)c3n2)c1.
What is the InChIKey of 3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is WLUXYJOFZIUJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2N5/c16-11-6-10(7-18-8-11)13-2-1-4-21(13)14-3-5-22-15(20-14)12(17)9-19-22/h3,5-9,13H,1-2,4H2.
What are the key properties of 3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?
3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 423.11 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-(5-bromo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 167934366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).