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

C19H19BrFN7O — CID 163505107

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[3-(2-fluoro-2,3-dihydropyridin-5-yl)-8-methyl-3,5,6,8-tetrahydro-2H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCC1C2=NCC(C3=CCC(F)N=C3)N2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C19H19BrFN7O/c1-11-18-24-9-15(12-2-3-16(21)22-7-12)27(18)5-4-26(11)19(29)14-6-17-23-8-13(20)10-28(17)25-14/h2,6-8,10-11,15-16H,3-5,9H2,1H3
InChIKeyCXXSVSADTYOSOJ-UHFFFAOYSA-N
MW460.31 g/mol
LogP2.12
Rot. Bonds2

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

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[3-(2-fluoro-2,3-dihydropyridin-5-yl)-8-methyl-3,5,6,8-tetrahydro-2H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 163505107) has the molecular formula C19H19BrFN7O and a molecular weight of 460.31 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[3-(2-fluoro-2,3-dihydropyridin-5-yl)-8-methyl-3,5,6,8-tetrahydro-2H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[3-(2-fluoro-2,3-dihydropyridin-5-yl)-8-methyl-3,5,6,8-tetrahydro-2H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID163505107
Molecular FormulaC19H19BrFN7O
Molecular Weight460.31 g/mol
Exact Mass459.08
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[3-(2-fluoro-2,3-dihydropyridin-5-yl)-8-methyl-3,5,6,8-tetrahydro-2H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCC1C2=NCC(C3=CCC(F)N=C3)N2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C19H19BrFN7O/c1-11-18-24-9-15(12-2-3-16(21)22-7-12)27(18)5-4-26(11)19(29)14-6-17-23-8-13(20)10-28(17)25-14/h2,6-8,10-11,15-16H,3-5,9H2,1H3
InChIKeyCXXSVSADTYOSOJ-UHFFFAOYSA-N
XLogP2.12
TPSA78.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[3-(2-fluoro-2,3-dihydropyridin-5-yl)-8-methyl-3,5,6,8-tetrahydro-2H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[3-(2-fluoro-2,3-dihydropyridin-5-yl)-8-methyl-3,5,6,8-tetrahydro-2H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 163505107) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[3-(2-fluoro-2,3-dihydropyridin-5-yl)-8-methyl-3,5,6,8-tetrahydro-2H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[3-(2-fluoro-2,3-dihydropyridin-5-yl)-8-methyl-3,5,6,8-tetrahydro-2H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[3-(2-fluoro-2,3-dihydropyridin-5-yl)-8-methyl-3,5,6,8-tetrahydro-2H-imidazo[1,2-a]pyrazin-7-yl]methanone is CC1C2=NCC(C3=CCC(F)N=C3)N2CCN1C(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[3-(2-fluoro-2,3-dihydropyridin-5-yl)-8-methyl-3,5,6,8-tetrahydro-2H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is CXXSVSADTYOSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN7O/c1-11-18-24-9-15(12-2-3-16(21)22-7-12)27(18)5-4-26(11)19(29)14-6-17-23-8-13(20)10-28(17)25-14/h2,6-8,10-11,15-16H,3-5,9H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[3-(2-fluoro-2,3-dihydropyridin-5-yl)-8-methyl-3,5,6,8-tetrahydro-2H-imidazo[1,2-a]pyrazin-7-yl]methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[3-(2-fluoro-2,3-dihydropyridin-5-yl)-8-methyl-3,5,6,8-tetrahydro-2H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 460.31 g/mol, XLogP of 2.12, 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)-[3-(2-fluoro-2,3-dihydropyridin-5-yl)-8-methyl-3,5,6,8-tetrahydro-2H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 163505107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).