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

C₃₂H₃₂Br₂N₈O₃S — CID 143619325

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

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane (PubChem CID 143619325) has the molecular formula C₃₂H₃₂Br₂N₈O₃S and a molecular weight of 768.54 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane.

Molecular Properties

• Compound Name: (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane
• PubChem CID: 143619325
• Molecular Formula: C₃₂H₃₂Br₂N₈O₃S
• Molecular Weight: 768.54 g/mol
• Exact Mass: 766.07
• IUPAC Name: (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane
• SMILES: CC.CC1c2ccoc2CCN1C(=O)c1cc2ncc(Br)cn2n1.CC1c2ccsc2CCN1C(=O)c1cc2ncc(Br)cn2n1
• InChI: InChI=1S/C15H13BrN4O2.C15H13BrN4OS.C2H6/c2*1-9-11-3-5-22-13(11)2-4-19(9)15(21)12-6-14-17-7-10(16)8-20(14)18-12;1-2/h2*3,5-9H,2,4H2,1H3;1-2H3
• InChIKey: ZSEOMTGBVNGVJW-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 114.14 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.54
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane?

The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane (CID 143619325) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane.

What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane?

The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane is CC.CC1c2ccoc2CCN1C(=O)c1cc2ncc(Br)cn2n1.CC1c2ccsc2CCN1C(=O)c1cc2ncc(Br)cn2n1.

What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane?

The InChIKey is ZSEOMTGBVNGVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2.C15H13BrN4OS.C2H6/c2*1-9-11-3-5-22-13(11)2-4-19(9)15(21)12-6-14-17-7-10(16)8-20(14)18-12;1-2/h2*3,5-9H,2,4H2,1H3;1-2H3.

What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane?

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane has a molecular weight of 768.54 g/mol, XLogP of 7.18, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;ethane is sourced from PubChem (CID 143619325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143619325 — identifiers, structure, computed properties (public domain)

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