[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

C25H22N8O2 — CID 69450617

IUPAC[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESNc1nc(-c2ccc(C(=O)N3CCN(c4ccncc4)CC3)cc2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C25H22N8O2/c26-22-24-29-23(21-2-1-15-35-21)30-33(24)16-20(28-22)17-3-5-18(6-4-17)25(34)32-13-11-31(12-14-32)19-7-9-27-10-8-19/h1-10,15-16H,11-14H2,(H2,26,28)
InChIKeyLPIGKWSDVQZNPL-UHFFFAOYSA-N
MW466.51 g/mol
LogP2.99
Rot. Bonds4

About [4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 69450617) has the molecular formula C25H22N8O2 and a molecular weight of 466.51 g/mol. Its IUPAC name is [4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID69450617
Molecular FormulaC25H22N8O2
Molecular Weight466.51 g/mol
Exact Mass466.19
IUPAC Name[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESNc1nc(-c2ccc(C(=O)N3CCN(c4ccncc4)CC3)cc2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C25H22N8O2/c26-22-24-29-23(21-2-1-15-35-21)30-33(24)16-20(28-22)17-3-5-18(6-4-17)25(34)32-13-11-31(12-14-32)19-7-9-27-10-8-19/h1-10,15-16H,11-14H2,(H2,26,28)
InChIKeyLPIGKWSDVQZNPL-UHFFFAOYSA-N
XLogP2.99
TPSA118.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 11372234
4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide
CID 69460896
furan-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048919
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228417
2-(furan-2-yl)-6-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 69455635
(6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 68729434
[4-(furan-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 90649735
ethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate
CID 69455070
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
[4-(2-phenylethynyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38027713
1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 23570263

Frequently Asked Questions

What is the IUPAC name of [4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 69450617) is [4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is Nc1nc(-c2ccc(C(=O)N3CCN(c4ccncc4)CC3)cc2)cn2nc(-c3ccco3)nc12.
What is the InChIKey of [4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is LPIGKWSDVQZNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O2/c26-22-24-29-23(21-2-1-15-35-21)30-33(24)16-20(28-22)17-3-5-18(6-4-17)25(34)32-13-11-31(12-14-32)19-7-9-27-10-8-19/h1-10,15-16H,11-14H2,(H2,26,28).
What are the key properties of [4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 466.51 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 69450617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).