(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[6-(furan-3-yl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

C19H16BrN5O2 — CID 66847020

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[6-(furan-3-yl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESCC1c2ccc(-c3ccoc3)n2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C19H16BrN5O2/c1-12-16-2-3-17(13-4-7-27-11-13)24(16)6-5-23(12)19(26)15-8-18-21-9-14(20)10-25(18)22-15/h2-4,7-12H,5-6H2,1H3
InChIKeyUQGPXXSFRSELPY-UHFFFAOYSA-N
MW426.27 g/mol
LogP3.77
Rot. Bonds2

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[6-(furan-3-yl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[6-(furan-3-yl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 66847020) has the molecular formula C19H16BrN5O2 and a molecular weight of 426.27 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[6-(furan-3-yl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[6-(furan-3-yl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
PubChem CID66847020
Molecular FormulaC19H16BrN5O2
Molecular Weight426.27 g/mol
Exact Mass425.05
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[6-(furan-3-yl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESCC1c2ccc(-c3ccoc3)n2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C19H16BrN5O2/c1-12-16-2-3-17(13-4-7-27-11-13)24(16)6-5-23(12)19(26)15-8-18-21-9-14(20)10-25(18)22-15/h2-4,7-12H,5-6H2,1H3
InChIKeyUQGPXXSFRSELPY-UHFFFAOYSA-N
XLogP3.77
TPSA68.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[6-(furan-3-yl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[6-(furan-3-yl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (CID 66847020) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[6-(furan-3-yl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[6-(furan-3-yl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[6-(furan-3-yl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is CC1c2ccc(-c3ccoc3)n2CCN1C(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[6-(furan-3-yl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is UQGPXXSFRSELPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5O2/c1-12-16-2-3-17(13-4-7-27-11-13)24(16)6-5-23(12)19(26)15-8-18-21-9-14(20)10-25(18)22-15/h2-4,7-12H,5-6H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[6-(furan-3-yl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[6-(furan-3-yl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 426.27 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[6-(furan-3-yl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 66847020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).