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

C15H13BrN4OS — CID 59663067

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESC[C@@H]1c2ccsc2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H13BrN4OS/c1-9-11-3-5-22-13(11)2-4-19(9)15(21)12-6-14-17-7-10(16)8-20(14)18-12/h3,5-9H,2,4H2,1H3/t9-/m1/s1
InChIKeyDONMFMOQMDPDJR-SECBINFHSA-N
MW377.27 g/mol
LogP3.31
Rot. Bonds1

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

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 59663067) has the molecular formula C15H13BrN4OS and a molecular weight of 377.27 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(4R)-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)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID59663067
Molecular FormulaC15H13BrN4OS
Molecular Weight377.27 g/mol
Exact Mass376.00
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESC[C@@H]1c2ccsc2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H13BrN4OS/c1-9-11-3-5-22-13(11)2-4-19(9)15(21)12-6-14-17-7-10(16)8-20(14)18-12/h3,5-9H,2,4H2,1H3/t9-/m1/s1
InChIKeyDONMFMOQMDPDJR-SECBINFHSA-N
XLogP3.31
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

Indiplon
CID 6450813
US10100058, Example 145
CID 134540190
Lorediplon
CID 12004146
1-[3-(4-Methylpiperazin-1-yl)propyl]-4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-1,2-dihydropyridin-2-one
CID 5329471
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 211
CID 134539877
US10100058, Example 229
CID 134539886
US10100058, Example 141
CID 134539903
US10100058, Example 105
CID 134540034
US10100058, Example 225
CID 134540086
US10100058, Example 228
CID 134540119

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(4R)-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)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 59663067) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(4R)-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)-[(4R)-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)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is C[C@@H]1c2ccsc2CCN1C(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is DONMFMOQMDPDJR-SECBINFHSA-N. The full InChI is InChI=1S/C15H13BrN4OS/c1-9-11-3-5-22-13(11)2-4-19(9)15(21)12-6-14-17-7-10(16)8-20(14)18-12/h3,5-9H,2,4H2,1H3/t9-/m1/s1.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 377.27 g/mol, XLogP of 3.31, 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)-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 59663067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).