ethyl 2-(2,2-diethylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate

C19H22N4O4 — CID 136618302

IUPACethyl 2-(2,2-diethylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate
SMILESCCOC(=O)c1c(NN(CC)CC)oc(/C=C2\C=Nc3ncccc32)c1O
InChIInChI=1S/C19H22N4O4/c1-4-23(5-2)22-18-15(19(25)26-6-3)16(24)14(27-18)10-12-11-21-17-13(12)8-7-9-20-17/h7-11,22,24H,4-6H2,1-3H3/b12-10+
InChIKeyGHTCGLWSLKMLIA-ZRDIBKRKSA-N
MW370.41 g/mol
LogP3.48
Rot. Bonds7

About ethyl 2-(2,2-diethylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate

ethyl 2-(2,2-diethylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate (PubChem CID 136618302) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 2-(2,2-diethylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,2-diethylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate
PubChem CID136618302
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Nameethyl 2-(2,2-diethylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate
SMILESCCOC(=O)c1c(NN(CC)CC)oc(/C=C2\C=Nc3ncccc32)c1O
InChIInChI=1S/C19H22N4O4/c1-4-23(5-2)22-18-15(19(25)26-6-3)16(24)14(27-18)10-12-11-21-17-13(12)8-7-9-20-17/h7-11,22,24H,4-6H2,1-3H3/b12-10+
InChIKeyGHTCGLWSLKMLIA-ZRDIBKRKSA-N
XLogP3.48
TPSA100.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-diethylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-(2,2-diethylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate (CID 136618302) is ethyl 2-(2,2-diethylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-(2,2-diethylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-(2,2-diethylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate is CCOC(=O)c1c(NN(CC)CC)oc(/C=C2\C=Nc3ncccc32)c1O.
What is the InChIKey of ethyl 2-(2,2-diethylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate?
The InChIKey is GHTCGLWSLKMLIA-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-4-23(5-2)22-18-15(19(25)26-6-3)16(24)14(27-18)10-12-11-21-17-13(12)8-7-9-20-17/h7-11,22,24H,4-6H2,1-3H3/b12-10+.
What are the key properties of ethyl 2-(2,2-diethylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate?
ethyl 2-(2,2-diethylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-diethylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate is sourced from PubChem (CID 136618302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).