ethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate

C18H20N4O2 — CID 139488143

IUPACethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2cn3cc(C4CC4C)ccc3n2)c1
InChIInChI=1S/C18H20N4O2/c1-3-24-18(23)14-7-19-22(9-14)11-15-10-21-8-13(16-6-12(16)2)4-5-17(21)20-15/h4-5,7-10,12,16H,3,6,11H2,1-2H3
InChIKeyYCUUVLBTVBUJMP-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.88
Rot. Bonds5

About ethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate

ethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate (PubChem CID 139488143) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
PubChem CID139488143
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Nameethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2cn3cc(C4CC4C)ccc3n2)c1
InChIInChI=1S/C18H20N4O2/c1-3-24-18(23)14-7-19-22(9-14)11-15-10-21-8-13(16-6-12(16)2)4-5-17(21)20-15/h4-5,7-10,12,16H,3,6,11H2,1-2H3
InChIKeyYCUUVLBTVBUJMP-UHFFFAOYSA-N
XLogP2.88
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate (CID 139488143) is ethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(Cc2cn3cc(C4CC4C)ccc3n2)c1.
What is the InChIKey of ethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
The InChIKey is YCUUVLBTVBUJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-24-18(23)14-7-19-22(9-14)11-15-10-21-8-13(16-6-12(16)2)4-5-17(21)20-15/h4-5,7-10,12,16H,3,6,11H2,1-2H3.
What are the key properties of ethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
ethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[6-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 139488143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).