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

C22H24N8O — CID 70648869

IUPAC5-[3-[3-[(3R)-3-methylpiperazin-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)CCN1
InChIInChI=1S/C22H24N8O/c1-13-10-29(7-6-24-13)15-11-30(12-15)20-9-25-17-4-3-16(26-21(17)28-20)14-2-5-19-18(8-14)27-22(23)31-19/h2-5,8-9,13,15,24H,6-7,10-12H2,1H3,(H2,23,27)/t13-/m1/s1
InChIKeyGFRSUEUXASPGFM-CYBMUJFWSA-N
MW416.49 g/mol
LogP1.90
Rot. Bonds3

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

5-[3-[3-[(3R)-3-methylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70648869) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 5-[3-[3-[(3R)-3-methylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[3-[3-[(3R)-3-methylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70648869
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name5-[3-[3-[(3R)-3-methylpiperazin-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)CCN1
InChIInChI=1S/C22H24N8O/c1-13-10-29(7-6-24-13)15-11-30(12-15)20-9-25-17-4-3-16(26-21(17)28-20)14-2-5-19-18(8-14)27-22(23)31-19/h2-5,8-9,13,15,24H,6-7,10-12H2,1H3,(H2,23,27)/t13-/m1/s1
InChIKeyGFRSUEUXASPGFM-CYBMUJFWSA-N
XLogP1.90
TPSA109.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[(3R)-3-methylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[3-[3-[(3R)-3-methylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (CID 70648869) is 5-[3-[3-[(3R)-3-methylpiperazin-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-[(3R)-3-methylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[3-[3-[(3R)-3-methylpiperazin-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)CCN1.
What is the InChIKey of 5-[3-[3-[(3R)-3-methylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is GFRSUEUXASPGFM-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H24N8O/c1-13-10-29(7-6-24-13)15-11-30(12-15)20-9-25-17-4-3-16(26-21(17)28-20)14-2-5-19-18(8-14)27-22(23)31-19/h2-5,8-9,13,15,24H,6-7,10-12H2,1H3,(H2,23,27)/t13-/m1/s1.
What are the key properties of 5-[3-[3-[(3R)-3-methylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
5-[3-[3-[(3R)-3-methylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine has a molecular weight of 416.49 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[(3R)-3-methylpiperazin-1-yl]azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70648869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).