ethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate

C15H20N4O5 — CID 71852773

IUPACethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COCC2CCCO2)[nH]n2ccnc12
InChIInChI=1S/C15H20N4O5/c1-2-23-15(21)12-13(18-19-6-5-16-14(12)19)17-11(20)9-22-8-10-4-3-7-24-10/h5-6,10,18H,2-4,7-9H2,1H3,(H,17,20)
InChIKeyUURRZVIHORDEIF-UHFFFAOYSA-N
MW336.35 g/mol
LogP0.97
Rot. Bonds7

About ethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate

ethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate (PubChem CID 71852773) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is ethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate
PubChem CID71852773
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Nameethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COCC2CCCO2)[nH]n2ccnc12
InChIInChI=1S/C15H20N4O5/c1-2-23-15(21)12-13(18-19-6-5-16-14(12)19)17-11(20)9-22-8-10-4-3-7-24-10/h5-6,10,18H,2-4,7-9H2,1H3,(H,17,20)
InChIKeyUURRZVIHORDEIF-UHFFFAOYSA-N
XLogP0.97
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate?
The IUPAC name of ethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate (CID 71852773) is ethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate.
What is the SMILES notation for ethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate?
The canonical SMILES for ethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate is CCOC(=O)c1c(NC(=O)COCC2CCCO2)[nH]n2ccnc12.
What is the InChIKey of ethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate?
The InChIKey is UURRZVIHORDEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-2-23-15(21)12-13(18-19-6-5-16-14(12)19)17-11(20)9-22-8-10-4-3-7-24-10/h5-6,10,18H,2-4,7-9H2,1H3,(H,17,20).
What are the key properties of ethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate?
ethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[2-(oxolan-2-ylmethoxy)acetyl]amino]-5H-imidazo[1,2-b]pyrazole-7-carboxylate is sourced from PubChem (CID 71852773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).