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

C20H20N8O2 — CID 171524627

IUPAC6-[1-(6-methyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCc1ccc2nc(N3CC(c4cnc(Nc5cnn(C)c5)c(C(N)=O)n4)C3)oc2c1
InChIInChI=1S/C20H20N8O2/c1-11-3-4-14-16(5-11)30-20(26-14)28-8-12(9-28)15-7-22-19(17(25-15)18(21)29)24-13-6-23-27(2)10-13/h3-7,10,12H,8-9H2,1-2H3,(H2,21,29)(H,22,24)
InChIKeyCBTVIJHTCBQIPA-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.11
Rot. Bonds5

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

6-[1-(6-methyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 171524627) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 6-[1-(6-methyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[1-(6-methyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
PubChem CID171524627
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name6-[1-(6-methyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
SMILESCc1ccc2nc(N3CC(c4cnc(Nc5cnn(C)c5)c(C(N)=O)n4)C3)oc2c1
InChIInChI=1S/C20H20N8O2/c1-11-3-4-14-16(5-11)30-20(26-14)28-8-12(9-28)15-7-22-19(17(25-15)18(21)29)24-13-6-23-27(2)10-13/h3-7,10,12H,8-9H2,1-2H3,(H2,21,29)(H,22,24)
InChIKeyCBTVIJHTCBQIPA-UHFFFAOYSA-N
XLogP2.11
TPSA127.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(6-methyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of 6-[1-(6-methyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 171524627) is 6-[1-(6-methyl-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-methyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[1-(6-methyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is Cc1ccc2nc(N3CC(c4cnc(Nc5cnn(C)c5)c(C(N)=O)n4)C3)oc2c1.
What is the InChIKey of 6-[1-(6-methyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
The InChIKey is CBTVIJHTCBQIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-11-3-4-14-16(5-11)30-20(26-14)28-8-12(9-28)15-7-22-19(17(25-15)18(21)29)24-13-6-23-27(2)10-13/h3-7,10,12H,8-9H2,1-2H3,(H2,21,29)(H,22,24).
What are the key properties of 6-[1-(6-methyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?
6-[1-(6-methyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(6-methyl-1,3-benzoxazol-2-yl)azetidin-3-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 171524627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).