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

C14H11BrN4O2 — CID 24899752

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1cc2ncc(Br)cn2n1)N1CCc2occc2C1
InChIInChI=1S/C14H11BrN4O2/c15-10-6-16-13-5-11(17-19(13)8-10)14(20)18-3-1-12-9(7-18)2-4-21-12/h2,4-6,8H,1,3,7H2
InChIKeyWEZQZYRSDCEMTK-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.28
Rot. Bonds1

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

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone (PubChem CID 24899752) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone
PubChem CID24899752
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1cc2ncc(Br)cn2n1)N1CCc2occc2C1
InChIInChI=1S/C14H11BrN4O2/c15-10-6-16-13-5-11(17-19(13)8-10)14(20)18-3-1-12-9(7-18)2-4-21-12/h2,4-6,8H,1,3,7H2
InChIKeyWEZQZYRSDCEMTK-UHFFFAOYSA-N
XLogP2.28
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.28
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)-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone (CID 24899752) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone is O=C(c1cc2ncc(Br)cn2n1)N1CCc2occc2C1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone?
The InChIKey is WEZQZYRSDCEMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c15-10-6-16-13-5-11(17-19(13)8-10)14(20)18-3-1-12-9(7-18)2-4-21-12/h2,4-6,8H,1,3,7H2.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone has a molecular weight of 347.17 g/mol, XLogP of 2.28, 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)-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 24899752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).