methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate

C21H20N6O2 — CID 155478844

IUPACmethyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate
SMILESCOC(=O)c1cnc2c(NCc3cnc(-c4ccnc(C)c4)c(C)c3)nccn12
InChIInChI=1S/C21H20N6O2/c1-13-8-15(10-24-18(13)16-4-5-22-14(2)9-16)11-25-19-20-26-12-17(21(28)29-3)27(20)7-6-23-19/h4-10,12H,11H2,1-3H3,(H,23,25)
InChIKeyRKUBYARAJVAZBC-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.20
Rot. Bonds5

About methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate

methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate (PubChem CID 155478844) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate
PubChem CID155478844
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Namemethyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate
SMILESCOC(=O)c1cnc2c(NCc3cnc(-c4ccnc(C)c4)c(C)c3)nccn12
InChIInChI=1S/C21H20N6O2/c1-13-8-15(10-24-18(13)16-4-5-22-14(2)9-16)11-25-19-20-26-12-17(21(28)29-3)27(20)7-6-23-19/h4-10,12H,11H2,1-3H3,(H,23,25)
InChIKeyRKUBYARAJVAZBC-UHFFFAOYSA-N
XLogP3.20
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate?
The IUPAC name of methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate (CID 155478844) is methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate.
What is the SMILES notation for methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate?
The canonical SMILES for methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate is COC(=O)c1cnc2c(NCc3cnc(-c4ccnc(C)c4)c(C)c3)nccn12.
What is the InChIKey of methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate?
The InChIKey is RKUBYARAJVAZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-13-8-15(10-24-18(13)16-4-5-22-14(2)9-16)11-25-19-20-26-12-17(21(28)29-3)27(20)7-6-23-19/h4-10,12H,11H2,1-3H3,(H,23,25).
What are the key properties of methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate?
methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate has a molecular weight of 388.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methylamino]imidazo[1,2-a]pyrazine-3-carboxylate is sourced from PubChem (CID 155478844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).