5-[3-fluoro-3-(methylaminomethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide

C18H21FN8O2 — CID 166507648

IUPAC5-[3-fluoro-3-(methylaminomethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
SMILESCNCC1(F)CN(c2cnc(C(=O)Nc3cn4cc(C)nc4c(OC)n3)cn2)C1
InChIInChI=1S/C18H21FN8O2/c1-11-6-26-7-13(25-17(29-3)15(26)23-11)24-16(28)12-4-22-14(5-21-12)27-9-18(19,10-27)8-20-2/h4-7,20H,8-10H2,1-3H3,(H,24,28)
InChIKeyAJPKNJWTAJCFFS-UHFFFAOYSA-N
MW400.42 g/mol
LogP0.84
Rot. Bonds6

About 5-[3-fluoro-3-(methylaminomethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide

5-[3-fluoro-3-(methylaminomethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide (PubChem CID 166507648) has the molecular formula C18H21FN8O2 and a molecular weight of 400.42 g/mol. Its IUPAC name is 5-[3-fluoro-3-(methylaminomethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-fluoro-3-(methylaminomethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
PubChem CID166507648
Molecular FormulaC18H21FN8O2
Molecular Weight400.42 g/mol
Exact Mass400.18
IUPAC Name5-[3-fluoro-3-(methylaminomethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
SMILESCNCC1(F)CN(c2cnc(C(=O)Nc3cn4cc(C)nc4c(OC)n3)cn2)C1
InChIInChI=1S/C18H21FN8O2/c1-11-6-26-7-13(25-17(29-3)15(26)23-11)24-16(28)12-4-22-14(5-21-12)27-9-18(19,10-27)8-20-2/h4-7,20H,8-10H2,1-3H3,(H,24,28)
InChIKeyAJPKNJWTAJCFFS-UHFFFAOYSA-N
XLogP0.84
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-3-(methylaminomethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[3-fluoro-3-(methylaminomethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide (CID 166507648) is 5-[3-fluoro-3-(methylaminomethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-fluoro-3-(methylaminomethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[3-fluoro-3-(methylaminomethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide is CNCC1(F)CN(c2cnc(C(=O)Nc3cn4cc(C)nc4c(OC)n3)cn2)C1.
What is the InChIKey of 5-[3-fluoro-3-(methylaminomethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The InChIKey is AJPKNJWTAJCFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN8O2/c1-11-6-26-7-13(25-17(29-3)15(26)23-11)24-16(28)12-4-22-14(5-21-12)27-9-18(19,10-27)8-20-2/h4-7,20H,8-10H2,1-3H3,(H,24,28).
What are the key properties of 5-[3-fluoro-3-(methylaminomethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
5-[3-fluoro-3-(methylaminomethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide has a molecular weight of 400.42 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-3-(methylaminomethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166507648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).