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

C23H26N8O — CID 70650022

IUPAC5-[3-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
SMILESCCN1CCN(C2CN(c3cnc4ccc(-c5ccc6oc(N)nc6c5)nc4n3)C2)CC1
InChIInChI=1S/C23H26N8O/c1-2-29-7-9-30(10-8-29)16-13-31(14-16)21-12-25-18-5-4-17(26-22(18)28-21)15-3-6-20-19(11-15)27-23(24)32-20/h3-6,11-12,16H,2,7-10,13-14H2,1H3,(H2,24,27)
InChIKeyUJYKLVRZAPXOGY-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.24
Rot. Bonds4

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

5-[3-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (PubChem CID 70650022) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 5-[3-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-[3-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
PubChem CID70650022
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name5-[3-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine
SMILESCCN1CCN(C2CN(c3cnc4ccc(-c5ccc6oc(N)nc6c5)nc4n3)C2)CC1
InChIInChI=1S/C23H26N8O/c1-2-29-7-9-30(10-8-29)16-13-31(14-16)21-12-25-18-5-4-17(26-22(18)28-21)15-3-6-20-19(11-15)27-23(24)32-20/h3-6,11-12,16H,2,7-10,13-14H2,1H3,(H2,24,27)
InChIKeyUJYKLVRZAPXOGY-UHFFFAOYSA-N
XLogP2.24
TPSA100.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
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

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

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Related Compounds

Serabelisib
CID 70798655
PI3Kalpha-IN-9
CID 164886635
6-(6-Methoxy-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 57390432
6-(6-Ethyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 57390469
6-(4-Methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 57399193
6-(6-Methyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 57400951
2-(4-Piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine
CID 57400952
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone
CID 70798412
[6-(2-Amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 70798544
(2S)-1-[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 70798705
Tert-butyl 4-[4-(2-amino-1,3-benzoxazol-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate
CID 168272706
1-[4-[4-(2-Amino-1,3-benzoxazol-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 168283249

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-[3-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine (CID 70650022) is 5-[3-[3-(4-ethylpiperazin-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-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-[3-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine is CCN1CCN(C2CN(c3cnc4ccc(-c5ccc6oc(N)nc6c5)nc4n3)C2)CC1.
What is the InChIKey of 5-[3-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
The InChIKey is UJYKLVRZAPXOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-2-29-7-9-30(10-8-29)16-13-31(14-16)21-12-25-18-5-4-17(26-22(18)28-21)15-3-6-20-19(11-15)27-23(24)32-20/h3-6,11-12,16H,2,7-10,13-14H2,1H3,(H2,24,27).
What are the key properties of 5-[3-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine?
5-[3-[3-(4-ethylpiperazin-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, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70650022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).