ethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate

C17H20N6O3 — CID 122597592

IUPACethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2nc(-c3cnn(C)c3)cc(N3CCOCC3)c2[nH]1
InChIInChI=1S/C17H20N6O3/c1-3-26-17(24)16-20-14-13(23-4-6-25-7-5-23)8-12(19-15(14)21-16)11-9-18-22(2)10-11/h8-10H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyTVGMGEBHLJCBBZ-UHFFFAOYSA-N
MW356.39 g/mol
LogP1.37
Rot. Bonds4

About ethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate

ethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate (PubChem CID 122597592) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is ethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate
PubChem CID122597592
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Nameethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2nc(-c3cnn(C)c3)cc(N3CCOCC3)c2[nH]1
InChIInChI=1S/C17H20N6O3/c1-3-26-17(24)16-20-14-13(23-4-6-25-7-5-23)8-12(19-15(14)21-16)11-9-18-22(2)10-11/h8-10H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyTVGMGEBHLJCBBZ-UHFFFAOYSA-N
XLogP1.37
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate (CID 122597592) is ethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate is CCOC(=O)c1nc2nc(-c3cnn(C)c3)cc(N3CCOCC3)c2[nH]1.
What is the InChIKey of ethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate?
The InChIKey is TVGMGEBHLJCBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-3-26-17(24)16-20-14-13(23-4-6-25-7-5-23)8-12(19-15(14)21-16)11-9-18-22(2)10-11/h8-10H,3-7H2,1-2H3,(H,19,20,21).
What are the key properties of ethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate?
ethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate has a molecular weight of 356.39 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate is sourced from PubChem (CID 122597592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).