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

C15H13BrN4O2 — CID 23728596

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone
SMILESCC1c2ccoc2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H13BrN4O2/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
InChIKeyUIUCMSYAPUAQDC-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.84
Rot. Bonds1

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-furo[3,2-c]pyridin-5-yl)methanone (PubChem CID 23728596) has the molecular formula C15H13BrN4O2 and a molecular weight of 361.20 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.

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
PubChem CID23728596
Molecular FormulaC15H13BrN4O2
Molecular Weight361.20 g/mol
Exact Mass360.02
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone
SMILESCC1c2ccoc2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H13BrN4O2/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
InChIKeyUIUCMSYAPUAQDC-UHFFFAOYSA-N
XLogP2.84
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.84
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)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone?
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 (CID 23728596) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-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)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone?
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 is CC1c2ccoc2CCN1C(=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?
The InChIKey is UIUCMSYAPUAQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2/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.
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-furo[3,2-c]pyridin-5-yl)methanone has a molecular weight of 361.20 g/mol, XLogP of 2.84, 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)-(4-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 23728596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).