ethyl 5-methyl-2-[(Z)-[2-oxo-5-[(2S)-1-oxo-1-(2-propoxyethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate

C24H30N4O5 — CID 170090203

IUPACethyl 5-methyl-2-[(Z)-[2-oxo-5-[(2S)-1-oxo-1-(2-propoxyethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate
SMILESCCCOCCNC(=O)[C@@H](C)c1cc2c(cn1)NC(=O)/C2=C\c1[nH]c(C)cc1C(=O)OCC
InChIInChI=1S/C24H30N4O5/c1-5-8-32-9-7-25-22(29)15(4)19-11-16-17(23(30)28-21(16)13-26-19)12-20-18(10-14(3)27-20)24(31)33-6-2/h10-13,15,27H,5-9H2,1-4H3,(H,25,29)(H,28,30)/b17-12-/t15-/m0/s1
InChIKeyUOQLRPASYLOQGX-ZKMNFCBKSA-N
MW454.53 g/mol
LogP3.03
Rot. Bonds10

About ethyl 5-methyl-2-[(Z)-[2-oxo-5-[(2S)-1-oxo-1-(2-propoxyethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate

ethyl 5-methyl-2-[(Z)-[2-oxo-5-[(2S)-1-oxo-1-(2-propoxyethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate (PubChem CID 170090203) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is ethyl 5-methyl-2-[(Z)-[2-oxo-5-[(2S)-1-oxo-1-(2-propoxyethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[(Z)-[2-oxo-5-[(2S)-1-oxo-1-(2-propoxyethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate
PubChem CID170090203
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Nameethyl 5-methyl-2-[(Z)-[2-oxo-5-[(2S)-1-oxo-1-(2-propoxyethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate
SMILESCCCOCCNC(=O)[C@@H](C)c1cc2c(cn1)NC(=O)/C2=C\c1[nH]c(C)cc1C(=O)OCC
InChIInChI=1S/C24H30N4O5/c1-5-8-32-9-7-25-22(29)15(4)19-11-16-17(23(30)28-21(16)13-26-19)12-20-18(10-14(3)27-20)24(31)33-6-2/h10-13,15,27H,5-9H2,1-4H3,(H,25,29)(H,28,30)/b17-12-/t15-/m0/s1
InChIKeyUOQLRPASYLOQGX-ZKMNFCBKSA-N
XLogP3.03
TPSA122.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 5-methyl-2-[(Z)-[2-oxo-5-[(2S)-1-oxo-1-(2-propoxyethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

ethyl 5-methyl-2-[(Z)-[6-oxo-2-[2-oxo-2-(2-propoxyethylamino)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-7-ylidene]methyl]-1H-pyrrole-3-carboxylate
CID 170090196
ethyl 5-methyl-2-[(Z)-[5-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]-2-oxoethyl]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxylate;molecular hydrogen
CID 162438370
ethyl 2-[(Z)-(2-chloro-6-oxo-5H-pyrrolo[3,2-d]pyrimidin-7-ylidene)methyl]-5-methyl-1H-pyrrole-3-carboxylate
CID 162438392
tert-butyl N-[2-[[4-[(3Z)-3-[(3-acetyl-5-methyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-methylpyrazol-5-yl]methoxy]ethyl]carbamate
CID 170090301
ethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate
CID 177137135
ethyl 5-[(Z)-[6-chloro-5-[2-[2-(methylamino)ethoxy]ethoxy]-2-oxo-1H-indol-3-ylidene]methyl]-1-(methoxymethyl)pyrazole-4-carboxylate
CID 169021515
ethyl 5-methyl-2-[(Z)-[5-[5-methyl-3-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-1,2-oxazol-4-yl]-2-oxo-1H-pyrrolo[3,2-b]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate
CID 162438021
ethyl 2-[(Z)-(5-bromo-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-pyrrole-3-carboxylate
CID 162438151
2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
CID 59069548
ethyl 5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylate
CID 67281073
ethyl 5-[(5-iodo-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 57131850
ethane;ethyl 5-[(Z)-(5-amino-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 178003020

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[(Z)-[2-oxo-5-[(2S)-1-oxo-1-(2-propoxyethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[(Z)-[2-oxo-5-[(2S)-1-oxo-1-(2-propoxyethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate (CID 170090203) is ethyl 5-methyl-2-[(Z)-[2-oxo-5-[(2S)-1-oxo-1-(2-propoxyethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[(Z)-[2-oxo-5-[(2S)-1-oxo-1-(2-propoxyethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[(Z)-[2-oxo-5-[(2S)-1-oxo-1-(2-propoxyethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate is CCCOCCNC(=O)[C@@H](C)c1cc2c(cn1)NC(=O)/C2=C\c1[nH]c(C)cc1C(=O)OCC.
What is the InChIKey of ethyl 5-methyl-2-[(Z)-[2-oxo-5-[(2S)-1-oxo-1-(2-propoxyethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate?
The InChIKey is UOQLRPASYLOQGX-ZKMNFCBKSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-5-8-32-9-7-25-22(29)15(4)19-11-16-17(23(30)28-21(16)13-26-19)12-20-18(10-14(3)27-20)24(31)33-6-2/h10-13,15,27H,5-9H2,1-4H3,(H,25,29)(H,28,30)/b17-12-/t15-/m0/s1.
What are the key properties of ethyl 5-methyl-2-[(Z)-[2-oxo-5-[(2S)-1-oxo-1-(2-propoxyethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate?
ethyl 5-methyl-2-[(Z)-[2-oxo-5-[(2S)-1-oxo-1-(2-propoxyethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate has a molecular weight of 454.53 g/mol, XLogP of 3.03, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[(Z)-[2-oxo-5-[(2S)-1-oxo-1-(2-propoxyethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-ylidene]methyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 170090203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).