[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(2-ethoxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate

C23H25FN4O6 — CID 118870685

IUPAC[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(2-ethoxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate
SMILESCCOCCN1OC[C@@H](NC(=O)Oc2c(C)[nH]c(/C=C3\C(=O)Nc4ccc(F)cc43)c2C)C1=O
InChIInChI=1S/C23H25FN4O6/c1-4-32-8-7-28-22(30)19(11-33-28)27-23(31)34-20-12(2)18(25-13(20)3)10-16-15-9-14(24)5-6-17(15)26-21(16)29/h5-6,9-10,19,25H,4,7-8,11H2,1-3H3,(H,26,29)(H,27,31)/b16-10-/t19-/m1/s1
InChIKeyMDLCJWBKDXSBCJ-NXIIHZOPSA-N
MW472.47 g/mol
LogP2.53
Rot. Bonds7

About [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(2-ethoxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate

[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(2-ethoxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate (PubChem CID 118870685) has the molecular formula C23H25FN4O6 and a molecular weight of 472.47 g/mol. Its IUPAC name is [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(2-ethoxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate.

Molecular Properties

Compound Name[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(2-ethoxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate
PubChem CID118870685
Molecular FormulaC23H25FN4O6
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC Name[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(2-ethoxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate
SMILESCCOCCN1OC[C@@H](NC(=O)Oc2c(C)[nH]c(/C=C3\C(=O)Nc4ccc(F)cc43)c2C)C1=O
InChIInChI=1S/C23H25FN4O6/c1-4-32-8-7-28-22(30)19(11-33-28)27-23(31)34-20-12(2)18(25-13(20)3)10-16-15-9-14(24)5-6-17(15)26-21(16)29/h5-6,9-10,19,25H,4,7-8,11H2,1-3H3,(H,26,29)(H,27,31)/b16-10-/t19-/m1/s1
InChIKeyMDLCJWBKDXSBCJ-NXIIHZOPSA-N
XLogP2.53
TPSA121.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 52.53
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 [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(2-ethoxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate with MolForge

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Related Compounds

[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(oxan-4-yl)-3-oxo-1,2-oxazolidin-4-yl]carbamate
CID 118870682
[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[1-(6-methyl-3-pyridinyl)piperidin-4-yl]carbamate
CID 118870649
[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(3S)-1-(morpholine-4-carbonyl)pyrrolidin-3-yl]carbamate
CID 118870669
5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(3S)-1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 90777869
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[(3R,5S)-4-oxo-5-(oxolan-3-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide
CID 163424841
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[1-(2-hydroxyethyl)piperidin-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 59215968
5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-piperidin-4-yl-1H-pyrrole-3-carboxamide
CID 72533203
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-oxohexan-3-yl)-1H-pyrrole-3-carboxamide
CID 118890921
methyl (3S)-3-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]pyrrolidine-1-carboxylate
CID 58432560
3-[[3,5-dimethyl-4-(2-morpholin-4-ylethylamino)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 123669494
N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 54759606
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-(2H-pyridin-1-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 131723910

Frequently Asked Questions

What is the IUPAC name of [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(2-ethoxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate?
The IUPAC name of [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(2-ethoxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate (CID 118870685) is [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(2-ethoxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate.
What is the SMILES notation for [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(2-ethoxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate?
The canonical SMILES for [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(2-ethoxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate is CCOCCN1OC[C@@H](NC(=O)Oc2c(C)[nH]c(/C=C3\C(=O)Nc4ccc(F)cc43)c2C)C1=O.
What is the InChIKey of [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(2-ethoxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate?
The InChIKey is MDLCJWBKDXSBCJ-NXIIHZOPSA-N. The full InChI is InChI=1S/C23H25FN4O6/c1-4-32-8-7-28-22(30)19(11-33-28)27-23(31)34-20-12(2)18(25-13(20)3)10-16-15-9-14(24)5-6-17(15)26-21(16)29/h5-6,9-10,19,25H,4,7-8,11H2,1-3H3,(H,26,29)(H,27,31)/b16-10-/t19-/m1/s1.
What are the key properties of [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(2-ethoxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate?
[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(2-ethoxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate has a molecular weight of 472.47 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl] N-[(4R)-2-(2-ethoxyethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate is sourced from PubChem (CID 118870685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).