2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2,6-dicarboxamide

C29H32FN5O3 — CID 44625346

IUPAC2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2,6-dicarboxamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1cc2ccc(C(=O)NCCCN3CCCC3=O)cc2[nH]1
InChIInChI=1S/C29H32FN5O3/c1-17-6-9-22(30)27-26(17)21(18(2)33-27)10-12-32-29(38)24-15-19-7-8-20(16-23(19)34-24)28(37)31-11-4-14-35-13-3-5-25(35)36/h6-9,15-16,33-34H,3-5,10-14H2,1-2H3,(H,31,37)(H,32,38)
InChIKeyYUSZOFRIEXWAID-UHFFFAOYSA-N
MW517.61 g/mol
LogP4.12
Rot. Bonds9

About 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2,6-dicarboxamide

2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2,6-dicarboxamide (PubChem CID 44625346) has the molecular formula C29H32FN5O3 and a molecular weight of 517.61 g/mol. Its IUPAC name is 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2,6-dicarboxamide
PubChem CID44625346
Molecular FormulaC29H32FN5O3
Molecular Weight517.61 g/mol
Exact Mass517.25
IUPAC Name2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2,6-dicarboxamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1cc2ccc(C(=O)NCCCN3CCCC3=O)cc2[nH]1
InChIInChI=1S/C29H32FN5O3/c1-17-6-9-22(30)27-26(17)21(18(2)33-27)10-12-32-29(38)24-15-19-7-8-20(16-23(19)34-24)28(37)31-11-4-14-35-13-3-5-25(35)36/h6-9,15-16,33-34H,3-5,10-14H2,1-2H3,(H,31,37)(H,32,38)
InChIKeyYUSZOFRIEXWAID-UHFFFAOYSA-N
XLogP4.12
TPSA110.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.61
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2,6-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2,6-dicarboxamide?
The IUPAC name of 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2,6-dicarboxamide (CID 44625346) is 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2,6-dicarboxamide?
The canonical SMILES for 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2,6-dicarboxamide is Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1cc2ccc(C(=O)NCCCN3CCCC3=O)cc2[nH]1.
What is the InChIKey of 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2,6-dicarboxamide?
The InChIKey is YUSZOFRIEXWAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN5O3/c1-17-6-9-22(30)27-26(17)21(18(2)33-27)10-12-32-29(38)24-15-19-7-8-20(16-23(19)34-24)28(37)31-11-4-14-35-13-3-5-25(35)36/h6-9,15-16,33-34H,3-5,10-14H2,1-2H3,(H,31,37)(H,32,38).
What are the key properties of 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2,6-dicarboxamide?
2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2,6-dicarboxamide has a molecular weight of 517.61 g/mol, XLogP of 4.12, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2,6-dicarboxamide is sourced from PubChem (CID 44625346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).