5-[5-amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one

C25H29N7O2 — CID 129060504

IUPAC5-[5-amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCc1cc(CNC(C)C)ccc1-c1nnc(-c2nc(-c3ccc(=O)n(C(C)C)c3)cnc2N)o1
InChIInChI=1S/C25H29N7O2/c1-14(2)27-11-17-6-8-19(16(5)10-17)24-30-31-25(34-24)22-23(26)28-12-20(29-22)18-7-9-21(33)32(13-18)15(3)4/h6-10,12-15,27H,11H2,1-5H3,(H2,26,28)
InChIKeyYOICPGNAAFCCLI-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.99
Rot. Bonds7

About 5-[5-amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one

5-[5-amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 129060504) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 5-[5-amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
PubChem CID129060504
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name5-[5-amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCc1cc(CNC(C)C)ccc1-c1nnc(-c2nc(-c3ccc(=O)n(C(C)C)c3)cnc2N)o1
InChIInChI=1S/C25H29N7O2/c1-14(2)27-11-17-6-8-19(16(5)10-17)24-30-31-25(34-24)22-23(26)28-12-20(29-22)18-7-9-21(33)32(13-18)15(3)4/h6-10,12-15,27H,11H2,1-5H3,(H2,26,28)
InChIKeyYOICPGNAAFCCLI-UHFFFAOYSA-N
XLogP3.99
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[5-amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[5-amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (CID 129060504) is 5-[5-amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is Cc1cc(CNC(C)C)ccc1-c1nnc(-c2nc(-c3ccc(=O)n(C(C)C)c3)cnc2N)o1.
What is the InChIKey of 5-[5-amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is YOICPGNAAFCCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-14(2)27-11-17-6-8-19(16(5)10-17)24-30-31-25(34-24)22-23(26)28-12-20(29-22)18-7-9-21(33)32(13-18)15(3)4/h6-10,12-15,27H,11H2,1-5H3,(H2,26,28).
What are the key properties of 5-[5-amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
5-[5-amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 459.55 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 129060504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).