5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine

C23H23N7O2 — CID 54675267

IUPAC5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(N5CC(N6CC7CCC(C6)O7)C5)nc4n3)ccc2o1
InChIInChI=1S/C23H23N7O2/c24-23-27-19-7-13(1-6-20(19)32-23)17-4-5-18-22(26-17)28-21(8-25-18)30-9-14(10-30)29-11-15-2-3-16(12-29)31-15/h1,4-8,14-16H,2-3,9-12H2,(H2,24,27)
InChIKeyWCQUGWUQLKBCDP-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.47
Rot. Bonds3

About 5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine

5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 54675267) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID54675267
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4ncc(N5CC(N6CC7CCC(C6)O7)C5)nc4n3)ccc2o1
InChIInChI=1S/C23H23N7O2/c24-23-27-19-7-13(1-6-20(19)32-23)17-4-5-18-22(26-17)28-21(8-25-18)30-9-14(10-30)29-11-15-2-3-16(12-29)31-15/h1,4-8,14-16H,2-3,9-12H2,(H2,24,27)
InChIKeyWCQUGWUQLKBCDP-UHFFFAOYSA-N
XLogP2.47
TPSA106.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (CID 54675267) is 5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-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-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4ncc(N5CC(N6CC7CCC(C6)O7)C5)nc4n3)ccc2o1.
What is the InChIKey of 5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is WCQUGWUQLKBCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c24-23-27-19-7-13(1-6-20(19)32-23)17-4-5-18-22(26-17)28-21(8-25-18)30-9-14(10-30)29-11-15-2-3-16(12-29)31-15/h1,4-8,14-16H,2-3,9-12H2,(H2,24,27).
What are the key properties of 5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 429.48 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 54675267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).