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

C21H25FN8O2 — CID 166507707

IUPAC5-[3-[(3-fluoropyrrolidin-1-yl)methyl]azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
SMILESCOc1nc(NC(=O)c2cnc(N3CC(CN4CCC(F)C4)C3)cn2)cn2cc(C)nc12
InChIInChI=1S/C21H25FN8O2/c1-13-7-30-12-17(27-21(32-2)19(30)25-13)26-20(31)16-5-24-18(6-23-16)29-9-14(10-29)8-28-4-3-15(22)11-28/h5-7,12,14-15H,3-4,8-11H2,1-2H3,(H,26,31)
InChIKeyOSYXQXVELNAKHK-UHFFFAOYSA-N
MW440.48 g/mol
LogP1.57
Rot. Bonds6

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

5-[3-[(3-fluoropyrrolidin-1-yl)methyl]azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide (PubChem CID 166507707) has the molecular formula C21H25FN8O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is 5-[3-[(3-fluoropyrrolidin-1-yl)methyl]azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[(3-fluoropyrrolidin-1-yl)methyl]azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
PubChem CID166507707
Molecular FormulaC21H25FN8O2
Molecular Weight440.48 g/mol
Exact Mass440.21
IUPAC Name5-[3-[(3-fluoropyrrolidin-1-yl)methyl]azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
SMILESCOc1nc(NC(=O)c2cnc(N3CC(CN4CCC(F)C4)C3)cn2)cn2cc(C)nc12
InChIInChI=1S/C21H25FN8O2/c1-13-7-30-12-17(27-21(32-2)19(30)25-13)26-20(31)16-5-24-18(6-23-16)29-9-14(10-29)8-28-4-3-15(22)11-28/h5-7,12,14-15H,3-4,8-11H2,1-2H3,(H,26,31)
InChIKeyOSYXQXVELNAKHK-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3-fluoropyrrolidin-1-yl)methyl]azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[3-[(3-fluoropyrrolidin-1-yl)methyl]azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide (CID 166507707) is 5-[3-[(3-fluoropyrrolidin-1-yl)methyl]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-[(3-fluoropyrrolidin-1-yl)methyl]azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[3-[(3-fluoropyrrolidin-1-yl)methyl]azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide is COc1nc(NC(=O)c2cnc(N3CC(CN4CCC(F)C4)C3)cn2)cn2cc(C)nc12.
What is the InChIKey of 5-[3-[(3-fluoropyrrolidin-1-yl)methyl]azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
The InChIKey is OSYXQXVELNAKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN8O2/c1-13-7-30-12-17(27-21(32-2)19(30)25-13)26-20(31)16-5-24-18(6-23-16)29-9-14(10-29)8-28-4-3-15(22)11-28/h5-7,12,14-15H,3-4,8-11H2,1-2H3,(H,26,31).
What are the key properties of 5-[3-[(3-fluoropyrrolidin-1-yl)methyl]azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide?
5-[3-[(3-fluoropyrrolidin-1-yl)methyl]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 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3-fluoropyrrolidin-1-yl)methyl]azetidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166507707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).