5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one

C23H26N10O3 — CID 56943966

IUPAC5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one
SMILESCOc1ccc(N2CCN(CCn3c(=O)n(C)c4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cn1
InChIInChI=1S/C23H26N10O3/c1-29-18-20(27-22(24)33-21(18)26-19(28-33)16-4-3-13-36-16)32(23(29)34)12-9-30-7-10-31(11-8-30)15-5-6-17(35-2)25-14-15/h3-6,13-14H,7-12H2,1-2H3,(H2,24,27)
InChIKeyABSWGCNVJMJCLU-UHFFFAOYSA-N
MW490.53 g/mol
LogP0.85
Rot. Bonds6

About 5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one

5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one (PubChem CID 56943966) has the molecular formula C23H26N10O3 and a molecular weight of 490.53 g/mol. Its IUPAC name is 5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one.

Molecular Properties

Compound Name5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one
PubChem CID56943966
Molecular FormulaC23H26N10O3
Molecular Weight490.53 g/mol
Exact Mass490.22
IUPAC Name5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one
SMILESCOc1ccc(N2CCN(CCn3c(=O)n(C)c4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cn1
InChIInChI=1S/C23H26N10O3/c1-29-18-20(27-22(24)33-21(18)26-19(28-33)16-4-3-13-36-16)32(23(29)34)12-9-30-7-10-31(11-8-30)15-5-6-17(35-2)25-14-15/h3-6,13-14H,7-12H2,1-2H3,(H2,24,27)
InChIKeyABSWGCNVJMJCLU-UHFFFAOYSA-N
XLogP0.85
TPSA137.77 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.53
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one?
The IUPAC name of 5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one (CID 56943966) is 5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one.
What is the SMILES notation for 5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one?
The canonical SMILES for 5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one is COc1ccc(N2CCN(CCn3c(=O)n(C)c4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cn1.
What is the InChIKey of 5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one?
The InChIKey is ABSWGCNVJMJCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N10O3/c1-29-18-20(27-22(24)33-21(18)26-19(28-33)16-4-3-13-36-16)32(23(29)34)12-9-30-7-10-31(11-8-30)15-5-6-17(35-2)25-14-15/h3-6,13-14H,7-12H2,1-2H3,(H2,24,27).
What are the key properties of 5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one?
5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one has a molecular weight of 490.53 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-(furan-2-yl)-3-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethyl]-1-methyl-[1,2,4]triazolo[5,1-f]purin-2-one is sourced from PubChem (CID 56943966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).