5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine

C19H18N8O — CID 56943739

IUPAC5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine
SMILESCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)nc4)CCC3)no2)cn1
InChIInChI=1S/C19H18N8O/c1-27-11-12(7-24-27)17-25-18(26-28-17)19(5-2-6-19)13-3-4-14(21-8-13)15-9-23-16(20)10-22-15/h3-4,7-11H,2,5-6H2,1H3,(H2,20,23)
InChIKeyVHGUGHVMQLBNIJ-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.37
Rot. Bonds4

About 5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine

5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine (PubChem CID 56943739) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine
PubChem CID56943739
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine
SMILESCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)nc4)CCC3)no2)cn1
InChIInChI=1S/C19H18N8O/c1-27-11-12(7-24-27)17-25-18(26-28-17)19(5-2-6-19)13-3-4-14(21-8-13)15-9-23-16(20)10-22-15/h3-4,7-11H,2,5-6H2,1H3,(H2,20,23)
InChIKeyVHGUGHVMQLBNIJ-UHFFFAOYSA-N
XLogP2.37
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine 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-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine?
The IUPAC name of 5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine (CID 56943739) is 5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for 5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine?
The canonical SMILES for 5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine is Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)nc4)CCC3)no2)cn1.
What is the InChIKey of 5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine?
The InChIKey is VHGUGHVMQLBNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c1-27-11-12(7-24-27)17-25-18(26-28-17)19(5-2-6-19)13-3-4-14(21-8-13)15-9-23-16(20)10-22-15/h3-4,7-11H,2,5-6H2,1H3,(H2,20,23).
What are the key properties of 5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine?
5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine has a molecular weight of 374.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 56943739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).