2,5-dimethyl-3-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrazine

C18H22N6O — CID 50982414

IUPAC2,5-dimethyl-3-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN(Cc3ccc(-c4ccn[nH]4)o3)CC2)n1
InChIInChI=1S/C18H22N6O/c1-13-11-19-14(2)18(21-13)24-9-7-23(8-10-24)12-15-3-4-17(25-15)16-5-6-20-22-16/h3-6,11H,7-10,12H2,1-2H3,(H,20,22)
InChIKeyLERQTLFNPRFCDC-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.40
Rot. Bonds4

About 2,5-dimethyl-3-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrazine

2,5-dimethyl-3-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrazine (PubChem CID 50982414) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2,5-dimethyl-3-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrazine
PubChem CID50982414
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2,5-dimethyl-3-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrazine
SMILESCc1cnc(C)c(N2CCN(Cc3ccc(-c4ccn[nH]4)o3)CC2)n1
InChIInChI=1S/C18H22N6O/c1-13-11-19-14(2)18(21-13)24-9-7-23(8-10-24)12-15-3-4-17(25-15)16-5-6-20-22-16/h3-6,11H,7-10,12H2,1-2H3,(H,20,22)
InChIKeyLERQTLFNPRFCDC-UHFFFAOYSA-N
XLogP2.40
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2,5-dimethyl-3-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrazine (CID 50982414) is 2,5-dimethyl-3-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2,5-dimethyl-3-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2,5-dimethyl-3-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrazine is Cc1cnc(C)c(N2CCN(Cc3ccc(-c4ccn[nH]4)o3)CC2)n1.
What is the InChIKey of 2,5-dimethyl-3-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrazine?
The InChIKey is LERQTLFNPRFCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-11-19-14(2)18(21-13)24-9-7-23(8-10-24)12-15-3-4-17(25-15)16-5-6-20-22-16/h3-6,11H,7-10,12H2,1-2H3,(H,20,22).
What are the key properties of 2,5-dimethyl-3-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrazine?
2,5-dimethyl-3-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrazine has a molecular weight of 338.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 50982414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).