2-[(1R,2R)-2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

C18H17FN6O — CID 72708980

IUPAC2-[(1R,2R)-2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1cccn2c(F)c([C@@H]3C[C@H]3c3nc4c(C)ncc(C)n4n3)nc12
InChIInChI=1S/C18H17FN6O/c1-9-8-20-10(2)17-22-16(23-25(9)17)12-7-11(12)14-15(19)24-6-4-5-13(26-3)18(24)21-14/h4-6,8,11-12H,7H2,1-3H3/t11-,12-/m1/s1
InChIKeyHXBRWHJHDBIHEO-VXGBXAGGSA-N
MW352.37 g/mol
LogP2.81
Rot. Bonds3

About 2-[(1R,2R)-2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

2-[(1R,2R)-2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 72708980) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-[(1R,2R)-2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[(1R,2R)-2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID72708980
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name2-[(1R,2R)-2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1cccn2c(F)c([C@@H]3C[C@H]3c3nc4c(C)ncc(C)n4n3)nc12
InChIInChI=1S/C18H17FN6O/c1-9-8-20-10(2)17-22-16(23-25(9)17)12-7-11(12)14-15(19)24-6-4-5-13(26-3)18(24)21-14/h4-6,8,11-12H,7H2,1-3H3/t11-,12-/m1/s1
InChIKeyHXBRWHJHDBIHEO-VXGBXAGGSA-N
XLogP2.81
TPSA69.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(1R,2R)-2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[(1R,2R)-2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 72708980) is 2-[(1R,2R)-2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[(1R,2R)-2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[(1R,2R)-2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is COc1cccn2c(F)c([C@@H]3C[C@H]3c3nc4c(C)ncc(C)n4n3)nc12.
What is the InChIKey of 2-[(1R,2R)-2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is HXBRWHJHDBIHEO-VXGBXAGGSA-N. The full InChI is InChI=1S/C18H17FN6O/c1-9-8-20-10(2)17-22-16(23-25(9)17)12-7-11(12)14-15(19)24-6-4-5-13(26-3)18(24)21-14/h4-6,8,11-12H,7H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[(1R,2R)-2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 352.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-(3-fluoro-8-methoxyimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 72708980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).