6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

C19H18N8O2 — CID 171524722

IUPAC6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCn1cc(Nc2ncc(C3CN(c4nc5ccccc5o4)C3)nc2C(N)=O)cn1
InChIInChI=1S/C19H18N8O2/c1-26-10-12(6-22-26)23-18-16(17(20)28)24-14(7-21-18)11-8-27(9-11)19-25-13-4-2-3-5-15(13)29-19/h2-7,10-11H,8-9H2,1H3,(H2,20,28)(H,21,23)
InChIKeyXMBXLTYRIULCAA-UHFFFAOYSA-N
MW390.41 g/mol
LogP1.80
Rot. Bonds5

About 6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 171524722) has the molecular formula C19H18N8O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
PubChem CID171524722
Molecular FormulaC19H18N8O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCn1cc(Nc2ncc(C3CN(c4nc5ccccc5o4)C3)nc2C(N)=O)cn1
InChIInChI=1S/C19H18N8O2/c1-26-10-12(6-22-26)23-18-16(17(20)28)24-14(7-21-18)11-8-27(9-11)19-25-13-4-2-3-5-15(13)29-19/h2-7,10-11H,8-9H2,1H3,(H2,20,28)(H,21,23)
InChIKeyXMBXLTYRIULCAA-UHFFFAOYSA-N
XLogP1.80
TPSA127.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 171524722) is 6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is Cn1cc(Nc2ncc(C3CN(c4nc5ccccc5o4)C3)nc2C(N)=O)cn1.
What is the InChIKey of 6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The InChIKey is XMBXLTYRIULCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O2/c1-26-10-12(6-22-26)23-18-16(17(20)28)24-14(7-21-18)11-8-27(9-11)19-25-13-4-2-3-5-15(13)29-19/h2-7,10-11H,8-9H2,1H3,(H2,20,28)(H,21,23).
What are the key properties of 6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 171524722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).