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

C20H20N8O3 — CID 171524767

IUPAC6-[1-(6-methoxy-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc2nc(N3CC(c4cnc(Nc5cnn(C)c5)c(C(N)=O)n4)C3)oc2c1
InChIInChI=1S/C20H20N8O3/c1-27-10-12(6-23-27)24-19-17(18(21)29)25-15(7-22-19)11-8-28(9-11)20-26-14-4-3-13(30-2)5-16(14)31-20/h3-7,10-11H,8-9H2,1-2H3,(H2,21,29)(H,22,24)
InChIKeyWDCATZZRIAVXBV-UHFFFAOYSA-N
MW420.43 g/mol
LogP1.81
Rot. Bonds6

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

6-[1-(6-methoxy-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 171524767) has the molecular formula C20H20N8O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 6-[1-(6-methoxy-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[1-(6-methoxy-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
PubChem CID171524767
Molecular FormulaC20H20N8O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name6-[1-(6-methoxy-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc2nc(N3CC(c4cnc(Nc5cnn(C)c5)c(C(N)=O)n4)C3)oc2c1
InChIInChI=1S/C20H20N8O3/c1-27-10-12(6-23-27)24-19-17(18(21)29)25-15(7-22-19)11-8-28(9-11)20-26-14-4-3-13(30-2)5-16(14)31-20/h3-7,10-11H,8-9H2,1-2H3,(H2,21,29)(H,22,24)
InChIKeyWDCATZZRIAVXBV-UHFFFAOYSA-N
XLogP1.81
TPSA137.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(6-methoxy-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 6-[1-(6-methoxy-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 171524767) is 6-[1-(6-methoxy-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-(6-methoxy-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[1-(6-methoxy-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is COc1ccc2nc(N3CC(c4cnc(Nc5cnn(C)c5)c(C(N)=O)n4)C3)oc2c1.
What is the InChIKey of 6-[1-(6-methoxy-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The InChIKey is WDCATZZRIAVXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O3/c1-27-10-12(6-23-27)24-19-17(18(21)29)25-15(7-22-19)11-8-28(9-11)20-26-14-4-3-13(30-2)5-16(14)31-20/h3-7,10-11H,8-9H2,1-2H3,(H2,21,29)(H,22,24).
What are the key properties of 6-[1-(6-methoxy-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
6-[1-(6-methoxy-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(6-methoxy-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 171524767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).