5-[(7R,9aS)-7-(quinazolin-4-yloxymethyl)-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

C25H26N10O2 — CID 11167914

IUPAC5-[(7R,9aS)-7-(quinazolin-4-yloxymethyl)-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
SMILESNc1nc(N2CCN3C[C@H](COc4ncnc5ccccc45)CC[C@H]3C2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C25H26N10O2/c26-23-30-24(31-25-29-21(32-35(23)25)20-6-3-11-36-20)34-10-9-33-12-16(7-8-17(33)13-34)14-37-22-18-4-1-2-5-19(18)27-15-28-22/h1-6,11,15-17H,7-10,12-14H2,(H2,26,29,30,31,32)/t16-,17+/m1/s1
InChIKeyBGXZPFVUHPXAOX-SJORKVTESA-N
MW498.55 g/mol
LogP2.28
Rot. Bonds5

About 5-[(7R,9aS)-7-(quinazolin-4-yloxymethyl)-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

5-[(7R,9aS)-7-(quinazolin-4-yloxymethyl)-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 (PubChem CID 11167914) has the molecular formula C25H26N10O2 and a molecular weight of 498.55 g/mol. Its IUPAC name is 5-[(7R,9aS)-7-(quinazolin-4-yloxymethyl)-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.

Molecular Properties

Compound Name5-[(7R,9aS)-7-(quinazolin-4-yloxymethyl)-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
PubChem CID11167914
Molecular FormulaC25H26N10O2
Molecular Weight498.55 g/mol
Exact Mass498.22
IUPAC Name5-[(7R,9aS)-7-(quinazolin-4-yloxymethyl)-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
SMILESNc1nc(N2CCN3C[C@H](COc4ncnc5ccccc45)CC[C@H]3C2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C25H26N10O2/c26-23-30-24(31-25-29-21(32-35(23)25)20-6-3-11-36-20)34-10-9-33-12-16(7-8-17(33)13-34)14-37-22-18-4-1-2-5-19(18)27-15-28-22/h1-6,11,15-17H,7-10,12-14H2,(H2,26,29,30,31,32)/t16-,17+/m1/s1
InChIKeyBGXZPFVUHPXAOX-SJORKVTESA-N
XLogP2.28
TPSA136.62 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.55
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 5-[(7R,9aS)-7-(quinazolin-4-yloxymethyl)-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 with MolForge

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Related Compounds

2-(Furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10216903
1-[4-[3-[5-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 10311130
(7RS,9aRS)-2-furan-2-yl-5-[7-(pyridin-3-yloxymethyl)-octahydro-pyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11339823
5-N-[[(7S,9aR)-2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 11293788
2-(furan-2-yl)-5-((7S,9aS)-7-((quinolin-6-yloxy)methyl)-hexahydro-1H-pyrido[1,2-a]pyrazin-2(6H)-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 11397863
1-[4-[3-[5-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-(2-methylmorpholin-4-yl)ethanone
CID 44387862
10-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 10150788
2-(Furan-2-yl)-7-[3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10151957
2-Furan-2-yl-7-(3-{4-[3-(2-methoxy-ethoxy)-phenyl]-piperazin-1-ylmethyl}-phenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10152659
CID 10174023
CID 10174023
4-(furan-2-yl)-10-[2-(3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 10174142
10-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 10216181

Frequently Asked Questions

What is the IUPAC name of 5-[(7R,9aS)-7-(quinazolin-4-yloxymethyl)-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?
The IUPAC name of 5-[(7R,9aS)-7-(quinazolin-4-yloxymethyl)-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 11167914) is 5-[(7R,9aS)-7-(quinazolin-4-yloxymethyl)-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.
What is the SMILES notation for 5-[(7R,9aS)-7-(quinazolin-4-yloxymethyl)-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?
The canonical SMILES for 5-[(7R,9aS)-7-(quinazolin-4-yloxymethyl)-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 is Nc1nc(N2CCN3C[C@H](COc4ncnc5ccccc45)CC[C@H]3C2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 5-[(7R,9aS)-7-(quinazolin-4-yloxymethyl)-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?
The InChIKey is BGXZPFVUHPXAOX-SJORKVTESA-N. The full InChI is InChI=1S/C25H26N10O2/c26-23-30-24(31-25-29-21(32-35(23)25)20-6-3-11-36-20)34-10-9-33-12-16(7-8-17(33)13-34)14-37-22-18-4-1-2-5-19(18)27-15-28-22/h1-6,11,15-17H,7-10,12-14H2,(H2,26,29,30,31,32)/t16-,17+/m1/s1.
What are the key properties of 5-[(7R,9aS)-7-(quinazolin-4-yloxymethyl)-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?
5-[(7R,9aS)-7-(quinazolin-4-yloxymethyl)-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 has a molecular weight of 498.55 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7R,9aS)-7-(quinazolin-4-yloxymethyl)-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 is sourced from PubChem (CID 11167914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).