5-cyano-2-[[7-(cyclopentanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid

C23H20N4O4 — CID 10476997

IUPAC5-cyano-2-[[7-(cyclopentanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid
SMILESN#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)C4CCCC4)c3[nH]2)c(C(=O)O)c1
InChIInChI=1S/C23H20N4O4/c24-12-13-8-9-17(16(10-13)23(30)31)26-22(29)19-11-15-6-3-7-18(20(15)25-19)27-21(28)14-4-1-2-5-14/h3,6-11,14,25H,1-2,4-5H2,(H,26,29)(H,27,28)(H,30,31)
InChIKeyLYCYISNFJNJOAU-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.12
Rot. Bonds5

About 5-cyano-2-[[7-(cyclopentanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid

5-cyano-2-[[7-(cyclopentanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid (PubChem CID 10476997) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 5-cyano-2-[[7-(cyclopentanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name5-cyano-2-[[7-(cyclopentanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid
PubChem CID10476997
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name5-cyano-2-[[7-(cyclopentanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid
SMILESN#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)C4CCCC4)c3[nH]2)c(C(=O)O)c1
InChIInChI=1S/C23H20N4O4/c24-12-13-8-9-17(16(10-13)23(30)31)26-22(29)19-11-15-6-3-7-18(20(15)25-19)27-21(28)14-4-1-2-5-14/h3,6-11,14,25H,1-2,4-5H2,(H,26,29)(H,27,28)(H,30,31)
InChIKeyLYCYISNFJNJOAU-UHFFFAOYSA-N
XLogP4.12
TPSA135.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-[[7-(cyclopentanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid?
The IUPAC name of 5-cyano-2-[[7-(cyclopentanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid (CID 10476997) is 5-cyano-2-[[7-(cyclopentanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 5-cyano-2-[[7-(cyclopentanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 5-cyano-2-[[7-(cyclopentanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid is N#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)C4CCCC4)c3[nH]2)c(C(=O)O)c1.
What is the InChIKey of 5-cyano-2-[[7-(cyclopentanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid?
The InChIKey is LYCYISNFJNJOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c24-12-13-8-9-17(16(10-13)23(30)31)26-22(29)19-11-15-6-3-7-18(20(15)25-19)27-21(28)14-4-1-2-5-14/h3,6-11,14,25H,1-2,4-5H2,(H,26,29)(H,27,28)(H,30,31).
What are the key properties of 5-cyano-2-[[7-(cyclopentanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid?
5-cyano-2-[[7-(cyclopentanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid has a molecular weight of 416.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-[[7-(cyclopentanecarbonylamino)-1H-indole-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 10476997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).