1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

C24H34FN5O2 — CID 20915958

IUPAC1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2CC)CC1
InChIInChI=1S/C24H34FN5O2/c1-3-27-13-15-28(16-14-27)11-6-10-26-24(32)23-22(30-12-5-7-21(30)31)19-17-18(25)8-9-20(19)29(23)4-2/h8-9,17H,3-7,10-16H2,1-2H3,(H,26,32)
InChIKeyBIGPXWXUBUAAOW-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.68
Rot. Bonds8

About 1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (PubChem CID 20915958) has the molecular formula C24H34FN5O2 and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
PubChem CID20915958
Molecular FormulaC24H34FN5O2
Molecular Weight443.57 g/mol
Exact Mass443.27
IUPAC Name1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2CC)CC1
InChIInChI=1S/C24H34FN5O2/c1-3-27-13-15-28(16-14-27)11-6-10-26-24(32)23-22(30-12-5-7-21(30)31)19-17-18(25)8-9-20(19)29(23)4-2/h8-9,17H,3-7,10-16H2,1-2H3,(H,26,32)
InChIKeyBIGPXWXUBUAAOW-UHFFFAOYSA-N
XLogP2.68
TPSA60.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-5-fluoro-N-[3-(3-methylpiperidin-1-yl)propyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915962
5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-propylindole-2-carboxamide
CID 20915763
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915967
1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277103
1-ethyl-5-methoxy-N-(3-methylbutyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915969
5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915765
N-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915757
5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide
CID 46277037
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277068
N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55660476
N-(2,5-dimethoxyphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277032
N-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277042

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The IUPAC name of 1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (CID 20915958) is 1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is CCN1CCN(CCCNC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2CC)CC1.
What is the InChIKey of 1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The InChIKey is BIGPXWXUBUAAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN5O2/c1-3-27-13-15-28(16-14-27)11-6-10-26-24(32)23-22(30-12-5-7-21(30)31)19-17-18(25)8-9-20(19)29(23)4-2/h8-9,17H,3-7,10-16H2,1-2H3,(H,26,32).
What are the key properties of 1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is sourced from PubChem (CID 20915958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).