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

C21H21N7O2 — CID 54675297

IUPAC5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(N5CC(N6CCOCC6)C5)nc4n3)ccc2o1
InChIInChI=1S/C21H21N7O2/c22-21-25-17-9-13(1-4-18(17)30-21)15-2-3-16-20(24-15)26-19(10-23-16)28-11-14(12-28)27-5-7-29-8-6-27/h1-4,9-10,14H,5-8,11-12H2,(H2,22,25)
InChIKeyFWYLLJFYPXVOGD-UHFFFAOYSA-N
MW403.45 g/mol
LogP1.94
Rot. Bonds3

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

5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 54675297) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID54675297
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(N5CC(N6CCOCC6)C5)nc4n3)ccc2o1
InChIInChI=1S/C21H21N7O2/c22-21-25-17-9-13(1-4-18(17)30-21)15-2-3-16-20(24-15)26-19(10-23-16)28-11-14(12-28)27-5-7-29-8-6-27/h1-4,9-10,14H,5-8,11-12H2,(H2,22,25)
InChIKeyFWYLLJFYPXVOGD-UHFFFAOYSA-N
XLogP1.94
TPSA106.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (CID 54675297) is 5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4ncc(N5CC(N6CCOCC6)C5)nc4n3)ccc2o1.
What is the InChIKey of 5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is FWYLLJFYPXVOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c22-21-25-17-9-13(1-4-18(17)30-21)15-2-3-16-20(24-15)26-19(10-23-16)28-11-14(12-28)27-5-7-29-8-6-27/h1-4,9-10,14H,5-8,11-12H2,(H2,22,25).
What are the key properties of 5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 403.45 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 54675297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).