5-[5-amino-6-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one

C28H30N6O2 — CID 54672914

IUPAC5-[5-amino-6-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one
SMILESNc1ncc(-c2ccc(=O)n(C3CCCC3)c2)nc1-c1cc(-c2ccc(CN3CCCC3)cc2)no1
InChIInChI=1S/C28H30N6O2/c29-28-27(31-24(16-30-28)21-11-12-26(35)34(18-21)22-5-1-2-6-22)25-15-23(32-36-25)20-9-7-19(8-10-20)17-33-13-3-4-14-33/h7-12,15-16,18,22H,1-6,13-14,17H2,(H2,29,30)
InChIKeyQJQLIFLGKWVTPC-UHFFFAOYSA-N
MW482.59 g/mol
LogP4.92
Rot. Bonds6

About 5-[5-amino-6-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one

5-[5-amino-6-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one (PubChem CID 54672914) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one
PubChem CID54672914
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC Name5-[5-amino-6-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one
SMILESNc1ncc(-c2ccc(=O)n(C3CCCC3)c2)nc1-c1cc(-c2ccc(CN3CCCC3)cc2)no1
InChIInChI=1S/C28H30N6O2/c29-28-27(31-24(16-30-28)21-11-12-26(35)34(18-21)22-5-1-2-6-22)25-15-23(32-36-25)20-9-7-19(8-10-20)17-33-13-3-4-14-33/h7-12,15-16,18,22H,1-6,13-14,17H2,(H2,29,30)
InChIKeyQJQLIFLGKWVTPC-UHFFFAOYSA-N
XLogP4.92
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one?
The IUPAC name of 5-[5-amino-6-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one (CID 54672914) is 5-[5-amino-6-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one is Nc1ncc(-c2ccc(=O)n(C3CCCC3)c2)nc1-c1cc(-c2ccc(CN3CCCC3)cc2)no1.
What is the InChIKey of 5-[5-amino-6-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one?
The InChIKey is QJQLIFLGKWVTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c29-28-27(31-24(16-30-28)21-11-12-26(35)34(18-21)22-5-1-2-6-22)25-15-23(32-36-25)20-9-7-19(8-10-20)17-33-13-3-4-14-33/h7-12,15-16,18,22H,1-6,13-14,17H2,(H2,29,30).
What are the key properties of 5-[5-amino-6-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one?
5-[5-amino-6-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one has a molecular weight of 482.59 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one is sourced from PubChem (CID 54672914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).