2-[2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine

C35H31FN12O — CID 126557455

IUPAC2-[2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1c(C)ccn2cc(C3CC3c3nc4c(-c5cnc(C)c6nc(C7CC7c7cn8cc(F)c(C)cc8n7)nn56)ncc(C)n4n3)nc12
InChIInChI=1S/C35H31FN12O/c1-16-6-7-45-14-26(40-35(45)30(16)49-5)21-10-23(21)32-42-34-29(38-11-18(3)47(34)43-32)27-12-37-19(4)33-41-31(44-48(27)33)22-9-20(22)25-15-46-13-24(36)17(2)8-28(46)39-25/h6-8,11-15,20-23H,9-10H2,1-5H3
InChIKeyNIHJVAIMRRRJRE-UHFFFAOYSA-N
MW654.71 g/mol
LogP5.45
Rot. Bonds6

About 2-[2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine

2-[2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 126557455) has the molecular formula C35H31FN12O and a molecular weight of 654.71 g/mol. Its IUPAC name is 2-[2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID126557455
Molecular FormulaC35H31FN12O
Molecular Weight654.71 g/mol
Exact Mass654.27
IUPAC Name2-[2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1c(C)ccn2cc(C3CC3c3nc4c(-c5cnc(C)c6nc(C7CC7c7cn8cc(F)c(C)cc8n7)nn56)ncc(C)n4n3)nc12
InChIInChI=1S/C35H31FN12O/c1-16-6-7-45-14-26(40-35(45)30(16)49-5)21-10-23(21)32-42-34-29(38-11-18(3)47(34)43-32)27-12-37-19(4)33-41-31(44-48(27)33)22-9-20(22)25-15-46-13-24(36)17(2)8-28(46)39-25/h6-8,11-15,20-23H,9-10H2,1-5H3
InChIKeyNIHJVAIMRRRJRE-UHFFFAOYSA-N
XLogP5.45
TPSA129.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500654.71
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 126557455) is 2-[2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine is COc1c(C)ccn2cc(C3CC3c3nc4c(-c5cnc(C)c6nc(C7CC7c7cn8cc(F)c(C)cc8n7)nn56)ncc(C)n4n3)nc12.
What is the InChIKey of 2-[2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is NIHJVAIMRRRJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31FN12O/c1-16-6-7-45-14-26(40-35(45)30(16)49-5)21-10-23(21)32-42-34-29(38-11-18(3)47(34)43-32)27-12-37-19(4)33-41-31(44-48(27)33)22-9-20(22)25-15-46-13-24(36)17(2)8-28(46)39-25/h6-8,11-15,20-23H,9-10H2,1-5H3.
What are the key properties of 2-[2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 654.71 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-[2-[2-(8-methoxy-7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 126557455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).