ethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate

C19H20N4O4 — CID 136618215

IUPACethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate
SMILESCCOC(=O)c1c(NN2CCCC2)oc(/C=C2\C=Nc3ncccc32)c1O
InChIInChI=1S/C19H20N4O4/c1-2-26-19(25)15-16(24)14(27-18(15)22-23-8-3-4-9-23)10-12-11-21-17-13(12)6-5-7-20-17/h5-7,10-11,22,24H,2-4,8-9H2,1H3/b12-10+
InChIKeyNXWFOLAMMBKHFH-ZRDIBKRKSA-N
MW368.39 g/mol
LogP3.24
Rot. Bonds5

About ethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate

ethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate (PubChem CID 136618215) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate
PubChem CID136618215
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Nameethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate
SMILESCCOC(=O)c1c(NN2CCCC2)oc(/C=C2\C=Nc3ncccc32)c1O
InChIInChI=1S/C19H20N4O4/c1-2-26-19(25)15-16(24)14(27-18(15)22-23-8-3-4-9-23)10-12-11-21-17-13(12)6-5-7-20-17/h5-7,10-11,22,24H,2-4,8-9H2,1H3/b12-10+
InChIKeyNXWFOLAMMBKHFH-ZRDIBKRKSA-N
XLogP3.24
TPSA100.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate with MolForge

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Related Compounds

CID 136618371
CID 136618371
CID 136618295
CID 136618295
CID 136624802
CID 136624802
CID 137644922
CID 137644922
CID 137660916
CID 137660916
CID 136230445
CID 136230445
CID 136338211
CID 136338211
CID 136230427
CID 136230427
CID 136230429
CID 136230429
CID 136618302
CID 136618302
CID 136618313
CID 136618313
CID 136618462
CID 136618462

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate (CID 136618215) is ethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate is CCOC(=O)c1c(NN2CCCC2)oc(/C=C2\C=Nc3ncccc32)c1O.
What is the InChIKey of ethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate?
The InChIKey is NXWFOLAMMBKHFH-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-2-26-19(25)15-16(24)14(27-18(15)22-23-8-3-4-9-23)10-12-11-21-17-13(12)6-5-7-20-17/h5-7,10-11,22,24H,2-4,8-9H2,1H3/b12-10+.
What are the key properties of ethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate?
ethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-(pyrrolidin-1-ylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]furan-3-carboxylate is sourced from PubChem (CID 136618215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).