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

C18H15BrN6O2 — CID 68801629

IUPAC(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-3-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCC1c2nnc(-c3ccoc3)n2CCN1C(=O)c1cc2ccc(Br)cn2n1
InChIInChI=1S/C18H15BrN6O2/c1-11-16-20-21-17(12-4-7-27-10-12)24(16)6-5-23(11)18(26)15-8-14-3-2-13(19)9-25(14)22-15/h2-4,7-11H,5-6H2,1H3
InChIKeyUTOYUDJSSKHIHN-UHFFFAOYSA-N
MW427.26 g/mol
LogP3.17
Rot. Bonds2

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

(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-3-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 68801629) has the molecular formula C18H15BrN6O2 and a molecular weight of 427.26 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-3-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-3-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID68801629
Molecular FormulaC18H15BrN6O2
Molecular Weight427.26 g/mol
Exact Mass426.04
IUPAC Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-3-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCC1c2nnc(-c3ccoc3)n2CCN1C(=O)c1cc2ccc(Br)cn2n1
InChIInChI=1S/C18H15BrN6O2/c1-11-16-20-21-17(12-4-7-27-10-12)24(16)6-5-23(11)18(26)15-8-14-3-2-13(19)9-25(14)22-15/h2-4,7-11H,5-6H2,1H3
InChIKeyUTOYUDJSSKHIHN-UHFFFAOYSA-N
XLogP3.17
TPSA81.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-3-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-3-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-3-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 68801629) is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-3-yl)-8-methyl-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]pyridin-2-yl)-[3-(furan-3-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-3-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is CC1c2nnc(-c3ccoc3)n2CCN1C(=O)c1cc2ccc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-3-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is UTOYUDJSSKHIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN6O2/c1-11-16-20-21-17(12-4-7-27-10-12)24(16)6-5-23(11)18(26)15-8-14-3-2-13(19)9-25(14)22-15/h2-4,7-11H,5-6H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-3-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-3-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 427.26 g/mol, XLogP of 3.17, 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]pyridin-2-yl)-[3-(furan-3-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 68801629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).