5-[6-[3-[3-(1-aminoethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-[(2-methylcyclopropyl)methyl]pyridin-2-one

C26H27N5O2 — CID 58070272

IUPAC5-[6-[3-[3-(1-aminoethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-[(2-methylcyclopropyl)methyl]pyridin-2-one
SMILESCc1ncc(-c2ccc(=O)n(CC3CC3C)c2)nc1-c1cc(-c2cccc(C(C)N)c2)no1
InChIInChI=1S/C26H27N5O2/c1-15-9-21(15)14-31-13-20(7-8-25(31)32)23-12-28-17(3)26(29-23)24-11-22(30-33-24)19-6-4-5-18(10-19)16(2)27/h4-8,10-13,15-16,21H,9,14,27H2,1-3H3
InChIKeyFJLREYDPFUVPAG-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.61
Rot. Bonds6

About 5-[6-[3-[3-(1-aminoethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-[(2-methylcyclopropyl)methyl]pyridin-2-one

5-[6-[3-[3-(1-aminoethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-[(2-methylcyclopropyl)methyl]pyridin-2-one (PubChem CID 58070272) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 5-[6-[3-[3-(1-aminoethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-[(2-methylcyclopropyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-[6-[3-[3-(1-aminoethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-[(2-methylcyclopropyl)methyl]pyridin-2-one
PubChem CID58070272
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name5-[6-[3-[3-(1-aminoethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-[(2-methylcyclopropyl)methyl]pyridin-2-one
SMILESCc1ncc(-c2ccc(=O)n(CC3CC3C)c2)nc1-c1cc(-c2cccc(C(C)N)c2)no1
InChIInChI=1S/C26H27N5O2/c1-15-9-21(15)14-31-13-20(7-8-25(31)32)23-12-28-17(3)26(29-23)24-11-22(30-33-24)19-6-4-5-18(10-19)16(2)27/h4-8,10-13,15-16,21H,9,14,27H2,1-3H3
InChIKeyFJLREYDPFUVPAG-UHFFFAOYSA-N
XLogP4.61
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-[3-(1-aminoethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-[(2-methylcyclopropyl)methyl]pyridin-2-one?
The IUPAC name of 5-[6-[3-[3-(1-aminoethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-[(2-methylcyclopropyl)methyl]pyridin-2-one (CID 58070272) is 5-[6-[3-[3-(1-aminoethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-[(2-methylcyclopropyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-[6-[3-[3-(1-aminoethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-[(2-methylcyclopropyl)methyl]pyridin-2-one?
The canonical SMILES for 5-[6-[3-[3-(1-aminoethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-[(2-methylcyclopropyl)methyl]pyridin-2-one is Cc1ncc(-c2ccc(=O)n(CC3CC3C)c2)nc1-c1cc(-c2cccc(C(C)N)c2)no1.
What is the InChIKey of 5-[6-[3-[3-(1-aminoethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-[(2-methylcyclopropyl)methyl]pyridin-2-one?
The InChIKey is FJLREYDPFUVPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-15-9-21(15)14-31-13-20(7-8-25(31)32)23-12-28-17(3)26(29-23)24-11-22(30-33-24)19-6-4-5-18(10-19)16(2)27/h4-8,10-13,15-16,21H,9,14,27H2,1-3H3.
What are the key properties of 5-[6-[3-[3-(1-aminoethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-[(2-methylcyclopropyl)methyl]pyridin-2-one?
5-[6-[3-[3-(1-aminoethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-[(2-methylcyclopropyl)methyl]pyridin-2-one has a molecular weight of 441.54 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-[3-(1-aminoethyl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-[(2-methylcyclopropyl)methyl]pyridin-2-one is sourced from PubChem (CID 58070272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).