cyclobutyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;molecular hydrogen

C23H25N5O2 — CID 160756282

IUPACcyclobutyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;molecular hydrogen
SMILESCc1ncc(C2=CCN(C(=O)C3CCC3)CC2)nc1-c1nnc(-c2ccccc2)o1.[H][H]
InChIInChI=1S/C23H23N5O2.H2/c1-15-20(22-27-26-21(30-22)17-6-3-2-4-7-17)25-19(14-24-15)16-10-12-28(13-11-16)23(29)18-8-5-9-18;/h2-4,6-7,10,14,18H,5,8-9,11-13H2,1H3;1H
InChIKeyRXMAKOURPOJWCN-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.16
Rot. Bonds4

About cyclobutyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;molecular hydrogen

cyclobutyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;molecular hydrogen (PubChem CID 160756282) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is cyclobutyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;molecular hydrogen.

Molecular Properties

Compound Namecyclobutyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;molecular hydrogen
PubChem CID160756282
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Namecyclobutyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;molecular hydrogen
SMILESCc1ncc(C2=CCN(C(=O)C3CCC3)CC2)nc1-c1nnc(-c2ccccc2)o1.[H][H]
InChIInChI=1S/C23H23N5O2.H2/c1-15-20(22-27-26-21(30-22)17-6-3-2-4-7-17)25-19(14-24-15)16-10-12-28(13-11-16)23(29)18-8-5-9-18;/h2-4,6-7,10,14,18H,5,8-9,11-13H2,1H3;1H
InChIKeyRXMAKOURPOJWCN-UHFFFAOYSA-N
XLogP4.16
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;molecular hydrogen?
The IUPAC name of cyclobutyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;molecular hydrogen (CID 160756282) is cyclobutyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;molecular hydrogen.
What is the SMILES notation for cyclobutyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;molecular hydrogen?
The canonical SMILES for cyclobutyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;molecular hydrogen is Cc1ncc(C2=CCN(C(=O)C3CCC3)CC2)nc1-c1nnc(-c2ccccc2)o1.[H][H].
What is the InChIKey of cyclobutyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;molecular hydrogen?
The InChIKey is RXMAKOURPOJWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2.H2/c1-15-20(22-27-26-21(30-22)17-6-3-2-4-7-17)25-19(14-24-15)16-10-12-28(13-11-16)23(29)18-8-5-9-18;/h2-4,6-7,10,14,18H,5,8-9,11-13H2,1H3;1H.
What are the key properties of cyclobutyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;molecular hydrogen?
cyclobutyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;molecular hydrogen has a molecular weight of 403.49 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]methanone;molecular hydrogen is sourced from PubChem (CID 160756282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).