(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C15H12BrFN4OS — CID 24899492

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCC1c2c(F)csc2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H12BrFN4OS/c1-8-14-10(17)7-23-12(14)2-3-20(8)15(22)11-4-13-18-5-9(16)6-21(13)19-11/h4-8H,2-3H2,1H3
InChIKeyWYARCRHXPHXQTK-UHFFFAOYSA-N
MW395.26 g/mol
LogP3.45
Rot. Bonds1

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 24899492) has the molecular formula C15H12BrFN4OS and a molecular weight of 395.26 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID24899492
Molecular FormulaC15H12BrFN4OS
Molecular Weight395.26 g/mol
Exact Mass393.99
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCC1c2c(F)csc2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H12BrFN4OS/c1-8-14-10(17)7-23-12(14)2-3-20(8)15(22)11-4-13-18-5-9(16)6-21(13)19-11/h4-8H,2-3H2,1H3
InChIKeyWYARCRHXPHXQTK-UHFFFAOYSA-N
XLogP3.45
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 24899492) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is CC1c2c(F)csc2CCN1C(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is WYARCRHXPHXQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN4OS/c1-8-14-10(17)7-23-12(14)2-3-20(8)15(22)11-4-13-18-5-9(16)6-21(13)19-11/h4-8H,2-3H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 395.26 g/mol, XLogP of 3.45, 1 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-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 24899492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).