(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-fluoro-3,4-dihydropyridin-3-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C19H17BrFN7O — CID 67588896

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-fluoro-3,4-dihydropyridin-3-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCC1c2nc(C3CC=CN=C3F)cn2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C19H17BrFN7O/c1-11-18-24-15(13-3-2-4-22-17(13)21)10-26(18)5-6-27(11)19(29)14-7-16-23-8-12(20)9-28(16)25-14/h2,4,7-11,13H,3,5-6H2,1H3
InChIKeyHXTZKHBUUXCACC-UHFFFAOYSA-N
MW458.30 g/mol
LogP3.27
Rot. Bonds2

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-fluoro-3,4-dihydropyridin-3-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-fluoro-3,4-dihydropyridin-3-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 67588896) has the molecular formula C19H17BrFN7O and a molecular weight of 458.30 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-fluoro-3,4-dihydropyridin-3-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-fluoro-3,4-dihydropyridin-3-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID67588896
Molecular FormulaC19H17BrFN7O
Molecular Weight458.30 g/mol
Exact Mass457.07
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-fluoro-3,4-dihydropyridin-3-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCC1c2nc(C3CC=CN=C3F)cn2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C19H17BrFN7O/c1-11-18-24-15(13-3-2-4-22-17(13)21)10-26(18)5-6-27(11)19(29)14-7-16-23-8-12(20)9-28(16)25-14/h2,4,7-11,13H,3,5-6H2,1H3
InChIKeyHXTZKHBUUXCACC-UHFFFAOYSA-N
XLogP3.27
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-fluoro-3,4-dihydropyridin-3-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-fluoro-3,4-dihydropyridin-3-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 67588896) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-fluoro-3,4-dihydropyridin-3-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-fluoro-3,4-dihydropyridin-3-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-fluoro-3,4-dihydropyridin-3-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is CC1c2nc(C3CC=CN=C3F)cn2CCN1C(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-fluoro-3,4-dihydropyridin-3-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is HXTZKHBUUXCACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN7O/c1-11-18-24-15(13-3-2-4-22-17(13)21)10-26(18)5-6-27(11)19(29)14-7-16-23-8-12(20)9-28(16)25-14/h2,4,7-11,13H,3,5-6H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-fluoro-3,4-dihydropyridin-3-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-fluoro-3,4-dihydropyridin-3-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 458.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-(2-fluoro-3,4-dihydropyridin-3-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 67588896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).