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

C14H9BrF2N4OS — CID 24899241

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,3-difluoro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1cc2ncc(Br)cn2n1)N1CCc2sc(F)c(F)c2C1
InChIInChI=1S/C14H9BrF2N4OS/c15-7-4-18-11-3-9(19-21(11)5-7)14(22)20-2-1-10-8(6-20)12(16)13(17)23-10/h3-5H,1-2,6H2
InChIKeyKSFBXYAYLJVKST-UHFFFAOYSA-N
MW399.22 g/mol
LogP3.03
Rot. Bonds1

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

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,3-difluoro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 24899241) has the molecular formula C14H9BrF2N4OS and a molecular weight of 399.22 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,3-difluoro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,3-difluoro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID24899241
Molecular FormulaC14H9BrF2N4OS
Molecular Weight399.22 g/mol
Exact Mass397.96
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,3-difluoro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1cc2ncc(Br)cn2n1)N1CCc2sc(F)c(F)c2C1
InChIInChI=1S/C14H9BrF2N4OS/c15-7-4-18-11-3-9(19-21(11)5-7)14(22)20-2-1-10-8(6-20)12(16)13(17)23-10/h3-5H,1-2,6H2
InChIKeyKSFBXYAYLJVKST-UHFFFAOYSA-N
XLogP3.03
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.22
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 689338
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[3-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 66846634
(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
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810686
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(2,3-difluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 59663077
(3-bromo-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 24897016
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19581278
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58416501
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 59660664
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[1-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 24810632
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-(6-fluoro-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 66846336
ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate
CID 4775673

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,3-difluoro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,3-difluoro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 24899241) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,3-difluoro-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)-(2,3-difluoro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,3-difluoro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is O=C(c1cc2ncc(Br)cn2n1)N1CCc2sc(F)c(F)c2C1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,3-difluoro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is KSFBXYAYLJVKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N4OS/c15-7-4-18-11-3-9(19-21(11)5-7)14(22)20-2-1-10-8(6-20)12(16)13(17)23-10/h3-5H,1-2,6H2.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,3-difluoro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,3-difluoro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 399.22 g/mol, XLogP of 3.03, 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)-(2,3-difluoro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 24899241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).