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

C21H21N7O — CID 56849054

IUPAC3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine
SMILESCc1nc(-c2ccc(C3(c4noc(-c5cnn(C)c5)n4)CCC3)cc2)cnc1N
InChIInChI=1S/C21H21N7O/c1-13-18(22)23-11-17(25-13)14-4-6-16(7-5-14)21(8-3-9-21)20-26-19(29-27-20)15-10-24-28(2)12-15/h4-7,10-12H,3,8-9H2,1-2H3,(H2,22,23)
InChIKeyLQYDBGCDHMNIIH-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.29
Rot. Bonds4

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

3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine (PubChem CID 56849054) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine
PubChem CID56849054
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine
SMILESCc1nc(-c2ccc(C3(c4noc(-c5cnn(C)c5)n4)CCC3)cc2)cnc1N
InChIInChI=1S/C21H21N7O/c1-13-18(22)23-11-17(25-13)14-4-6-16(7-5-14)21(8-3-9-21)20-26-19(29-27-20)15-10-24-28(2)12-15/h4-7,10-12H,3,8-9H2,1-2H3,(H2,22,23)
InChIKeyLQYDBGCDHMNIIH-UHFFFAOYSA-N
XLogP3.29
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(1-methylpyrazol-4-yl)-3-[1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]cyclobutyl]-1,2,4-oxadiazole
CID 56849300
5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 56848510
5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 66780354
1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 66824640
5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 66825819
2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 66828240
5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyridin-2-amine
CID 66826552
5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 66824588
5-[5-[1-[5-[6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56944423
2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]prop-2-en-1-ol
CID 66828289
5-[4-[1-[5-(5-propylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 153059892
4-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 135966775

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine?
The IUPAC name of 3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine (CID 56849054) is 3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine.
What is the SMILES notation for 3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine?
The canonical SMILES for 3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine is Cc1nc(-c2ccc(C3(c4noc(-c5cnn(C)c5)n4)CCC3)cc2)cnc1N.
What is the InChIKey of 3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine?
The InChIKey is LQYDBGCDHMNIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-13-18(22)23-11-17(25-13)14-4-6-16(7-5-14)21(8-3-9-21)20-26-19(29-27-20)15-10-24-28(2)12-15/h4-7,10-12H,3,8-9H2,1-2H3,(H2,22,23).
What are the key properties of 3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine?
3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine has a molecular weight of 387.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 56849054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).