[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone

C18H18N8O2 — CID 91818598

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
SMILESCc1nnc2c(N3CCN(C(=O)c4cc(-c5ccco5)[nH]n4)CC3)nccn12
InChIInChI=1S/C18H18N8O2/c1-12-20-23-17-16(19-4-5-26(12)17)24-6-8-25(9-7-24)18(27)14-11-13(21-22-14)15-3-2-10-28-15/h2-5,10-11H,6-9H2,1H3,(H,21,22)
InChIKeyKKLRDAKPRJVTOO-UHFFFAOYSA-N
MW378.40 g/mol
LogP1.38
Rot. Bonds3

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone (PubChem CID 91818598) has the molecular formula C18H18N8O2 and a molecular weight of 378.40 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
PubChem CID91818598
Molecular FormulaC18H18N8O2
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
SMILESCc1nnc2c(N3CCN(C(=O)c4cc(-c5ccco5)[nH]n4)CC3)nccn12
InChIInChI=1S/C18H18N8O2/c1-12-20-23-17-16(19-4-5-26(12)17)24-6-8-25(9-7-24)18(27)14-11-13(21-22-14)15-3-2-10-28-15/h2-5,10-11H,6-9H2,1H3,(H,21,22)
InChIKeyKKLRDAKPRJVTOO-UHFFFAOYSA-N
XLogP1.38
TPSA108.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[5-(furan-2-yl)-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 35554692
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 35555894
(3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
CID 91818642
(5-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
CID 91818629
[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 91818651
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 90506581
(2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 20910914
1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118877
N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide
CID 86992460
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 71780477
[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 51896800
[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 51896797

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone (CID 91818598) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone is Cc1nnc2c(N3CCN(C(=O)c4cc(-c5ccco5)[nH]n4)CC3)nccn12.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone?
The InChIKey is KKLRDAKPRJVTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O2/c1-12-20-23-17-16(19-4-5-26(12)17)24-6-8-25(9-7-24)18(27)14-11-13(21-22-14)15-3-2-10-28-15/h2-5,10-11H,6-9H2,1H3,(H,21,22).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone has a molecular weight of 378.40 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91818598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).