5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine

C22H23N7O2 — CID 70649201

IUPAC5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
SMILESCC1CN(C2CN(c3cnc4ccc(-c5ccc6oc(N)nc6c5)nc4n3)C2)CCO1
InChIInChI=1S/C22H23N7O2/c1-13-10-28(6-7-30-13)15-11-29(12-15)20-9-24-17-4-3-16(25-21(17)27-20)14-2-5-19-18(8-14)26-22(23)31-19/h2-5,8-9,13,15H,6-7,10-12H2,1H3,(H2,23,26)
InChIKeyIDOCBOMLGZNLKU-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.32
Rot. Bonds3

About 5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine

5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70649201) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70649201
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
SMILESCC1CN(C2CN(c3cnc4ccc(-c5ccc6oc(N)nc6c5)nc4n3)C2)CCO1
InChIInChI=1S/C22H23N7O2/c1-13-10-28(6-7-30-13)15-11-29(12-15)20-9-24-17-4-3-16(25-21(17)27-20)14-2-5-19-18(8-14)26-22(23)31-19/h2-5,8-9,13,15H,6-7,10-12H2,1H3,(H2,23,26)
InChIKeyIDOCBOMLGZNLKU-UHFFFAOYSA-N
XLogP2.32
TPSA106.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (CID 70649201) is 5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine is CC1CN(C2CN(c3cnc4ccc(-c5ccc6oc(N)nc6c5)nc4n3)C2)CCO1.
What is the InChIKey of 5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is IDOCBOMLGZNLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-13-10-28(6-7-30-13)15-11-29(12-15)20-9-24-17-4-3-16(25-21(17)27-20)14-2-5-19-18(8-14)26-22(23)31-19/h2-5,8-9,13,15H,6-7,10-12H2,1H3,(H2,23,26).
What are the key properties of 5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 417.47 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(2-methylmorpholin-4-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70649201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).