2-(furan-2-yl)-5-[7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C23H26N8O2 — CID 11419462

IUPAC2-(furan-2-yl)-5-[7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(N2CCN3CC(COc4cccnc4)CCC3C2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C23H26N8O2/c24-20-11-21(26-23-27-22(28-31(20)23)19-4-2-10-32-19)30-9-8-29-13-16(5-6-17(29)14-30)15-33-18-3-1-7-25-12-18/h1-4,7,10-12,16-17H,5-6,8-9,13-15,24H2
InChIKeyFTSCFPVZEUXMJC-UHFFFAOYSA-N
MW446.52 g/mol
LogP2.34
Rot. Bonds5

About 2-(furan-2-yl)-5-[7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-(furan-2-yl)-5-[7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11419462) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID11419462
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name2-(furan-2-yl)-5-[7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(N2CCN3CC(COc4cccnc4)CCC3C2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C23H26N8O2/c24-20-11-21(26-23-27-22(28-31(20)23)19-4-2-10-32-19)30-9-8-29-13-16(5-6-17(29)14-30)15-33-18-3-1-7-25-12-18/h1-4,7,10-12,16-17H,5-6,8-9,13-15,24H2
InChIKeyFTSCFPVZEUXMJC-UHFFFAOYSA-N
XLogP2.34
TPSA110.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(furan-2-yl)-5-[7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-[7-[(3-fluorophenoxy)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 11248271
5-[7-[[bis(furan-2-ylmethyl)amino]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 69278924
5-[(7R,9aS)-7-[[bis[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]amino]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 11319767
5-[7-[[bis[(5-chlorofuran-2-yl)methyl]amino]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 69296713
7-[(7R,8aR)-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10215517
2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 69312245
5-[3-[[4-(4-chloro-2-pyridinyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169210507
2-(furan-2-yl)-5-[(3R)-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169210655
(7S,9aS)-2-(5-fluoropyrimidin-2-yl)-7-[(4-methoxyphenoxy)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 10133870
[8-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-1,2,3,4,6,7,9,9a-octahydropyrazino[1,2-a][1,3]azarsinin-3-yl]methanol
CID 173102707
5-[3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169210560
(7S,9aS)-2-(5-fluoropyrimidin-2-yl)-7-[(3-nitrophenoxy)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 69430919

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(furan-2-yl)-5-[7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 11419462) is 2-(furan-2-yl)-5-[7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-5-[7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-5-[7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Nc1cc(N2CCN3CC(COc4cccnc4)CCC3C2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-5-[7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FTSCFPVZEUXMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c24-20-11-21(26-23-27-22(28-31(20)23)19-4-2-10-32-19)30-9-8-29-13-16(5-6-17(29)14-30)15-33-18-3-1-7-25-12-18/h1-4,7,10-12,16-17H,5-6,8-9,13-15,24H2.
What are the key properties of 2-(furan-2-yl)-5-[7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-(furan-2-yl)-5-[7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 446.52 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[7-(pyridin-3-yloxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11419462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).