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

C24H24FN5O3 — CID 44625343

IUPAC6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1cc2ccc(C(=O)NCC(N)=O)cc2[nH]1
InChIInChI=1S/C24H24FN5O3/c1-12-3-6-17(25)22-21(12)16(13(2)29-22)7-8-27-24(33)19-9-14-4-5-15(10-18(14)30-19)23(32)28-11-20(26)31/h3-6,9-10,29-30H,7-8,11H2,1-2H3,(H2,26,31)(H,27,33)(H,28,32)
InChIKeyJOXZCGJONYXVOI-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.59
Rot. Bonds7

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

6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide (PubChem CID 44625343) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is 6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide
PubChem CID44625343
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1cc2ccc(C(=O)NCC(N)=O)cc2[nH]1
InChIInChI=1S/C24H24FN5O3/c1-12-3-6-17(25)22-21(12)16(13(2)29-22)7-8-27-24(33)19-9-14-4-5-15(10-18(14)30-19)23(32)28-11-20(26)31/h3-6,9-10,29-30H,7-8,11H2,1-2H3,(H2,26,31)(H,27,33)(H,28,32)
InChIKeyJOXZCGJONYXVOI-UHFFFAOYSA-N
XLogP2.59
TPSA132.87 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide?
The IUPAC name of 6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide (CID 44625343) is 6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide?
The canonical SMILES for 6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide is Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)c1cc2ccc(C(=O)NCC(N)=O)cc2[nH]1.
What is the InChIKey of 6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide?
The InChIKey is JOXZCGJONYXVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-12-3-6-17(25)22-21(12)16(13(2)29-22)7-8-27-24(33)19-9-14-4-5-15(10-18(14)30-19)23(32)28-11-20(26)31/h3-6,9-10,29-30H,7-8,11H2,1-2H3,(H2,26,31)(H,27,33)(H,28,32).
What are the key properties of 6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide?
6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide has a molecular weight of 449.49 g/mol, XLogP of 2.59, 7 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide is sourced from PubChem (CID 44625343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).