(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6-pyrimidin-5-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C88H70Br3Cl2N39O5 — CID 173099739

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6-pyrimidin-5-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6-pyrimidin-5-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 173099739) has the molecular formula C88H70Br3Cl2N39O5 and a molecular weight of 2064.41 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6-pyrimidin-5-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

• Compound Name: (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6-pyrimidin-5-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
• PubChem CID: 173099739
• Molecular Formula: C88H70Br3Cl2N39O5
• Molecular Weight: 2064.41 g/mol
• Exact Mass: 2059.33
• IUPAC Name: (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6-pyrimidin-5-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
• SMILES: CC1c2nnc(-c3ccccn3)n2CCN1C(=O)c1cc2ncc(Br)cn2n1.CC1c2nnc(-c3ccccn3)n2CCN1C(=O)c1cc2ncc(Cl)cn2n1.O=C(c1cc2ncc(Br)cn2n1)N1CCn2c(ccc2-c2cncnc2)C1.O=C(c1cc2ncc(Br)cn2n1)N1CCn2c(nnc2-c2ccccn2)C1.O=C(c1cc2ncc(Cl)cn2n1)N1CCn2c(nnc2-c2ccccn2)C1
• InChI: InChI=1S/C18H15BrN8O.C18H14BrN7O.C18H15ClN8O.C17H13BrN8O.C17H13ClN8O/c1-11-16-22-23-17(13-4-2-3-5-20-13)26(16)7-6-25(11)18(28)14-8-15-21-9-12(19)10-27(15)24-14;19-13-8-22-17-5-15(23-26(17)9-13)18(27)24-3-4-25-14(10-24)1-2-16(25)12-6-20-11-21-7-12;1-11-16-22-23-17(13-4-2-3-5-20-13)26(16)7-6-25(11)18(28)14-8-15-21-9-12(19)10-27(15)24-14;2*18-11-8-20-14-7-13(23-26(14)9-11)17(27)24-5-6-25-15(10-24)21-22-16(25)12-3-1-2-4-19-12/h2-5,8-11H,6-7H2,1H3;1-2,5-9,11H,3-4,10H2;2-5,8-11H,6-7H2,1H3;2*1-4,7-9H,5-6,10H2
• InChIKey: CDTAOYZJAVKBJI-UHFFFAOYSA-N
• XLogP: 10.52
• TPSA: 457.61 Ų
• H-Bond Acceptors: 39
• Rotatable Bonds: 10
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2064.41
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6-pyrimidin-5-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?

The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6-pyrimidin-5-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 173099739) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6-pyrimidin-5-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6-pyrimidin-5-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?

The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6-pyrimidin-5-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is CC1c2nnc(-c3ccccn3)n2CCN1C(=O)c1cc2ncc(Br)cn2n1.CC1c2nnc(-c3ccccn3)n2CCN1C(=O)c1cc2ncc(Cl)cn2n1.O=C(c1cc2ncc(Br)cn2n1)N1CCn2c(ccc2-c2cncnc2)C1.O=C(c1cc2ncc(Br)cn2n1)N1CCn2c(nnc2-c2ccccn2)C1.O=C(c1cc2ncc(Cl)cn2n1)N1CCn2c(nnc2-c2ccccn2)C1.

What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6-pyrimidin-5-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?

The InChIKey is CDTAOYZJAVKBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN8O.C18H14BrN7O.C18H15ClN8O.C17H13BrN8O.C17H13ClN8O/c1-11-16-22-23-17(13-4-2-3-5-20-13)26(16)7-6-25(11)18(28)14-8-15-21-9-12(19)10-27(15)24-14;19-13-8-22-17-5-15(23-26(17)9-13)18(27)24-3-4-25-14(10-24)1-2-16(25)12-6-20-11-21-7-12;1-11-16-22-23-17(13-4-2-3-5-20-13)26(16)7-6-25(11)18(28)14-8-15-21-9-12(19)10-27(15)24-14;2*18-11-8-20-14-7-13(23-26(14)9-11)17(27)24-5-6-25-15(10-24)21-22-16(25)12-3-1-2-4-19-12/h2-5,8-11H,6-7H2,1H3;1-2,5-9,11H,3-4,10H2;2-5,8-11H,6-7H2,1H3;2*1-4,7-9H,5-6,10H2.

What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6-pyrimidin-5-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6-pyrimidin-5-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 2064.41 g/mol, XLogP of 10.52, 10 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(6-pyrimidin-5-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 173099739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).