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

C20H20N8O — CID 56943646

IUPACN-methyl-5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine
SMILESCNc1cnc(-c2ccc(C3(c4noc(-c5cnn(C)c5)n4)CCC3)cn2)cn1
InChIInChI=1S/C20H20N8O/c1-21-17-11-23-16(10-24-17)15-5-4-14(9-22-15)20(6-3-7-20)19-26-18(29-27-19)13-8-25-28(2)12-13/h4-5,8-12H,3,6-7H2,1-2H3,(H,21,24)
InChIKeyQDELDABBWWAQRY-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.83
Rot. Bonds5

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

N-methyl-5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine (PubChem CID 56943646) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is N-methyl-5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine
PubChem CID56943646
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC NameN-methyl-5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine
SMILESCNc1cnc(-c2ccc(C3(c4noc(-c5cnn(C)c5)n4)CCC3)cn2)cn1
InChIInChI=1S/C20H20N8O/c1-21-17-11-23-16(10-24-17)15-5-4-14(9-22-15)20(6-3-7-20)19-26-18(29-27-19)13-8-25-28(2)12-13/h4-5,8-12H,3,6-7H2,1-2H3,(H,21,24)
InChIKeyQDELDABBWWAQRY-UHFFFAOYSA-N
XLogP2.83
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-methyl-5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine (CID 56943646) is N-methyl-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 N-methyl-5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-methyl-5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine is CNc1cnc(-c2ccc(C3(c4noc(-c5cnn(C)c5)n4)CCC3)cn2)cn1.
What is the InChIKey of N-methyl-5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine?
The InChIKey is QDELDABBWWAQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O/c1-21-17-11-23-16(10-24-17)15-5-4-14(9-22-15)20(6-3-7-20)19-26-18(29-27-19)13-8-25-28(2)12-13/h4-5,8-12H,3,6-7H2,1-2H3,(H,21,24).
What are the key properties of N-methyl-5-[5-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine?
N-methyl-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 388.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-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 56943646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).