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

C21H25FN8O2 — CID 166507838

IUPAC5-[3-fluoro-3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
SMILESCOc1nc(NC(=O)c2cnc(N3CC(F)(CN4CCCC4)C3)cn2)cn2cc(C)nc12
InChIInChI=1S/C21H25FN8O2/c1-14-9-29-10-16(27-20(32-2)18(29)25-14)26-19(31)15-7-24-17(8-23-15)30-12-21(22,13-30)11-28-5-3-4-6-28/h7-10H,3-6,11-13H2,1-2H3,(H,26,31)
InChIKeyAVHJIXOESQGMMQ-UHFFFAOYSA-N
MW440.48 g/mol
LogP1.71
Rot. Bonds6

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

5-[3-fluoro-3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide (PubChem CID 166507838) has the molecular formula C21H25FN8O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is 5-[3-fluoro-3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-fluoro-3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
PubChem CID166507838
Molecular FormulaC21H25FN8O2
Molecular Weight440.48 g/mol
Exact Mass440.21
IUPAC Name5-[3-fluoro-3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
SMILESCOc1nc(NC(=O)c2cnc(N3CC(F)(CN4CCCC4)C3)cn2)cn2cc(C)nc12
InChIInChI=1S/C21H25FN8O2/c1-14-9-29-10-16(27-20(32-2)18(29)25-14)26-19(31)15-7-24-17(8-23-15)30-12-21(22,13-30)11-28-5-3-4-6-28/h7-10H,3-6,11-13H2,1-2H3,(H,26,31)
InChIKeyAVHJIXOESQGMMQ-UHFFFAOYSA-N
XLogP1.71
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[3-fluoro-3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-3-(pyrrolidin-1-ylmethyl)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-(pyrrolidin-1-ylmethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide (CID 166507838) is 5-[3-fluoro-3-(pyrrolidin-1-ylmethyl)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-(pyrrolidin-1-ylmethyl)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-(pyrrolidin-1-ylmethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide is COc1nc(NC(=O)c2cnc(N3CC(F)(CN4CCCC4)C3)cn2)cn2cc(C)nc12.
What is the InChIKey of 5-[3-fluoro-3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The InChIKey is AVHJIXOESQGMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN8O2/c1-14-9-29-10-16(27-20(32-2)18(29)25-14)26-19(31)15-7-24-17(8-23-15)30-12-21(22,13-30)11-28-5-3-4-6-28/h7-10H,3-6,11-13H2,1-2H3,(H,26,31).
What are the key properties of 5-[3-fluoro-3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
5-[3-fluoro-3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-3-(pyrrolidin-1-ylmethyl)azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166507838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).