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

C19H20N4O5 — CID 136624802

IUPACethyl 4-hydroxy-2-(morpholin-4-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate
SMILESCCOC(=O)c1c(NN2CCOCC2)oc(/C=C2\C=Nc3ncccc32)c1O
InChIInChI=1S/C19H20N4O5/c1-2-27-19(25)15-16(24)14(28-18(15)22-23-6-8-26-9-7-23)10-12-11-21-17-13(12)4-3-5-20-17/h3-5,10-11,22,24H,2,6-9H2,1H3/b12-10+
InChIKeyHACFVFWCQZFPDU-ZRDIBKRKSA-N
MW384.39 g/mol
LogP2.47
Rot. Bonds5

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

ethyl 4-hydroxy-2-(morpholin-4-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate (PubChem CID 136624802) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-(morpholin-4-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-(morpholin-4-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate
PubChem CID136624802
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Nameethyl 4-hydroxy-2-(morpholin-4-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate
SMILESCCOC(=O)c1c(NN2CCOCC2)oc(/C=C2\C=Nc3ncccc32)c1O
InChIInChI=1S/C19H20N4O5/c1-2-27-19(25)15-16(24)14(28-18(15)22-23-6-8-26-9-7-23)10-12-11-21-17-13(12)4-3-5-20-17/h3-5,10-11,22,24H,2,6-9H2,1H3/b12-10+
InChIKeyHACFVFWCQZFPDU-ZRDIBKRKSA-N
XLogP2.47
TPSA109.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 4-hydroxy-2-(morpholin-4-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Monzosertib
CID 136618371
ethyl 2-(azepan-1-ylamino)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate
CID 136618295
methyl 2-(2-chloroanilino)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate
CID 137644922
[2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-yl]-piperidin-1-ylmethanone
CID 137660916
Cdc7-IN-1
CID 136230445
Ethyl 5-[(1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]-4-oxo-2-{[4-(2,2,2-trifluoroethyl)piperazinyl]amino}-4,5-dihydrofuran-3-carboxylate
CID 136338211
ethyl 2-anilino-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate
CID 136230427
ethyl 2-anilino-5-[(Z)-(5-chloropyrrolo[2,3-b]pyridin-3-ylidene)methyl]-4-hydroxyfuran-3-carboxylate
CID 136230429
ethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate
CID 136618215
ethyl 2-(2,2-diethylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate
CID 136618302
ethyl 2-(2-cyclohexyl-2-methylhydrazinyl)-4-hydroxy-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate
CID 136618313
ethyl 4-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]amino]-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate
CID 136618462

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-(morpholin-4-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-(morpholin-4-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate (CID 136624802) is ethyl 4-hydroxy-2-(morpholin-4-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-(morpholin-4-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-(morpholin-4-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate is CCOC(=O)c1c(NN2CCOCC2)oc(/C=C2\C=Nc3ncccc32)c1O.
What is the InChIKey of ethyl 4-hydroxy-2-(morpholin-4-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate?
The InChIKey is HACFVFWCQZFPDU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-2-27-19(25)15-16(24)14(28-18(15)22-23-6-8-26-9-7-23)10-12-11-21-17-13(12)4-3-5-20-17/h3-5,10-11,22,24H,2,6-9H2,1H3/b12-10+.
What are the key properties of ethyl 4-hydroxy-2-(morpholin-4-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate?
ethyl 4-hydroxy-2-(morpholin-4-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate has a molecular weight of 384.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-(morpholin-4-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate is sourced from PubChem (CID 136624802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).