(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

C15H13BrN4OS — CID 51548406

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C15H13BrN4OS/c16-10-7-17-14-11(8-18-20(14)9-10)15(21)19-5-1-3-12(19)13-4-2-6-22-13/h2,4,6-9,12H,1,3,5H2/t12-/m1/s1
InChIKeyOHWBOZVQXIYLBM-GFCCVEGCSA-N
MW377.27 g/mol
LogP3.53
Rot. Bonds2

About (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (PubChem CID 51548406) has the molecular formula C15H13BrN4OS and a molecular weight of 377.27 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
PubChem CID51548406
Molecular FormulaC15H13BrN4OS
Molecular Weight377.27 g/mol
Exact Mass376.00
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C15H13BrN4OS/c16-10-7-17-14-11(8-18-20(14)9-10)15(21)19-5-1-3-12(19)13-4-2-6-22-13/h2,4,6-9,12H,1,3,5H2/t12-/m1/s1
InChIKeyOHWBOZVQXIYLBM-GFCCVEGCSA-N
XLogP3.53
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 51548435
(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809692
(5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43004671
(5-bromo-2-iodophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 103600262
(4-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43018663
(2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 106686175
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56873890
[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 51548409
(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 29284515
(4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 60955318
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 95211626
(5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30545695

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone (CID 51548406) is (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is O=C(c1cnn2cc(Br)cnc12)N1CCC[C@@H]1c1cccs1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is OHWBOZVQXIYLBM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H13BrN4OS/c16-10-7-17-14-11(8-18-20(14)9-10)15(21)19-5-1-3-12(19)13-4-2-6-22-13/h2,4,6-9,12H,1,3,5H2/t12-/m1/s1.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 377.27 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 51548406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).