N,6-dimethyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine

C23H24N8O2 — CID 71035422

IUPACN,6-dimethyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine
SMILESCNc1cnc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cn2)c(C)n1
InChIInChI=1S/C23H24N8O2/c1-14-20(26-10-19(24-2)28-14)18-5-4-16(9-25-18)23(6-3-7-23)22-29-21(33-30-22)15-8-27-31(11-15)17-12-32-13-17/h4-5,8-11,17H,3,6-7,12-13H2,1-2H3,(H,24,28)
InChIKeyNPKKMCRSFLNGAR-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.18
Rot. Bonds6

About N,6-dimethyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine

N,6-dimethyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine (PubChem CID 71035422) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is N,6-dimethyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine
PubChem CID71035422
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC NameN,6-dimethyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine
SMILESCNc1cnc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cn2)c(C)n1
InChIInChI=1S/C23H24N8O2/c1-14-20(26-10-19(24-2)28-14)18-5-4-16(9-25-18)23(6-3-7-23)22-29-21(33-30-22)15-8-27-31(11-15)17-12-32-13-17/h4-5,8-11,17H,3,6-7,12-13H2,1-2H3,(H,24,28)
InChIKeyNPKKMCRSFLNGAR-UHFFFAOYSA-N
XLogP3.18
TPSA116.67 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N,6-dimethyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine?
The IUPAC name of N,6-dimethyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine (CID 71035422) is N,6-dimethyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N,6-dimethyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N,6-dimethyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine is CNc1cnc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cn2)c(C)n1.
What is the InChIKey of N,6-dimethyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine?
The InChIKey is NPKKMCRSFLNGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-14-20(26-10-19(24-2)28-14)18-5-4-16(9-25-18)23(6-3-7-23)22-29-21(33-30-22)15-8-27-31(11-15)17-12-32-13-17/h4-5,8-11,17H,3,6-7,12-13H2,1-2H3,(H,24,28).
What are the key properties of N,6-dimethyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine?
N,6-dimethyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine has a molecular weight of 444.50 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-5-[5-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 71035422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).