ethyl 6-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate

C17H22N2O4 — CID 155513244

IUPACethyl 6-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(C)C)oc2nc(N3CCOCC3)ccc12
InChIInChI=1S/C17H22N2O4/c1-4-22-17(20)14-12-5-6-13(19-7-9-21-10-8-19)18-16(12)23-15(14)11(2)3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyIRMYCUQLPRMBAA-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.96
Rot. Bonds4

About ethyl 6-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate

ethyl 6-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate (PubChem CID 155513244) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is ethyl 6-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate
PubChem CID155513244
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nameethyl 6-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(C)C)oc2nc(N3CCOCC3)ccc12
InChIInChI=1S/C17H22N2O4/c1-4-22-17(20)14-12-5-6-13(19-7-9-21-10-8-19)18-16(12)23-15(14)11(2)3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyIRMYCUQLPRMBAA-UHFFFAOYSA-N
XLogP2.96
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(cyclopropylmethyl)-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-2-carboxylate
CID 129231409
ethyl 1-(2,4-difluorophenyl)-7-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 139562601
ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate
CID 118690377
ethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate
CID 169093505
2-methoxyethyl 5-hydroxy-2-morpholin-4-yl-1,7-naphthyridine-6-carboxylate
CID 170122877
ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate
CID 158655887
ethyl 4-morpholin-4-ylphthalazine-1-carboxylate
CID 42878220
ethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-morpholin-4-yl-4-phenylpyridine-3-carboxylate
CID 135564031
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate
CID 779668
ethyl 2-anilino-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxylate
CID 52940806
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938

Frequently Asked Questions

What is the IUPAC name of ethyl 6-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate (CID 155513244) is ethyl 6-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate is CCOC(=O)c1c(C(C)C)oc2nc(N3CCOCC3)ccc12.
What is the InChIKey of ethyl 6-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate?
The InChIKey is IRMYCUQLPRMBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-4-22-17(20)14-12-5-6-13(19-7-9-21-10-8-19)18-16(12)23-15(14)11(2)3/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of ethyl 6-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate?
ethyl 6-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 155513244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).