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

C23H26N8O — CID 70649198

IUPAC5-[3-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
SMILESC[C@H]1CN(C2CN(c3cnc4ccc(-c5ccc6oc(N)nc6c5)nc4n3)C2)CCN1C
InChIInChI=1S/C23H26N8O/c1-14-11-30(8-7-29(14)2)16-12-31(13-16)21-10-25-18-5-4-17(26-22(18)28-21)15-3-6-20-19(9-15)27-23(24)32-20/h3-6,9-10,14,16H,7-8,11-13H2,1-2H3,(H2,24,27)/t14-/m0/s1
InChIKeyHDRUUFDTYUAAGQ-AWEZNQCLSA-N
MW430.52 g/mol
LogP2.24
Rot. Bonds3

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

5-[3-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70649198) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 5-[3-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[3-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70649198
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name5-[3-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
SMILESC[C@H]1CN(C2CN(c3cnc4ccc(-c5ccc6oc(N)nc6c5)nc4n3)C2)CCN1C
InChIInChI=1S/C23H26N8O/c1-14-11-30(8-7-29(14)2)16-12-31(13-16)21-10-25-18-5-4-17(26-22(18)28-21)15-3-6-20-19(9-15)27-23(24)32-20/h3-6,9-10,14,16H,7-8,11-13H2,1-2H3,(H2,24,27)/t14-/m0/s1
InChIKeyHDRUUFDTYUAAGQ-AWEZNQCLSA-N
XLogP2.24
TPSA100.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[3-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (CID 70649198) is 5-[3-[3-[(3S)-3,4-dimethylpiperazin-1-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-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[3-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine is C[C@H]1CN(C2CN(c3cnc4ccc(-c5ccc6oc(N)nc6c5)nc4n3)C2)CCN1C.
What is the InChIKey of 5-[3-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is HDRUUFDTYUAAGQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H26N8O/c1-14-11-30(8-7-29(14)2)16-12-31(13-16)21-10-25-18-5-4-17(26-22(18)28-21)15-3-6-20-19(9-15)27-23(24)32-20/h3-6,9-10,14,16H,7-8,11-13H2,1-2H3,(H2,24,27)/t14-/m0/s1.
What are the key properties of 5-[3-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
5-[3-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 430.52 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[(3S)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70649198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).