7-fluoro-4-(1H-indol-4-ylamino)-1H-indole-2-carboxylic acid

C17H12FN3O2 — CID 162669469

IUPAC7-fluoro-4-(1H-indol-4-ylamino)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(Nc3cccc4[nH]ccc34)ccc(F)c2[nH]1
InChIInChI=1S/C17H12FN3O2/c18-11-4-5-14(10-8-15(17(22)23)21-16(10)11)20-13-3-1-2-12-9(13)6-7-19-12/h1-8,19-21H,(H,22,23)
InChIKeyVWRDSQPPPLZHAE-UHFFFAOYSA-N
MW309.30 g/mol
LogP4.23
Rot. Bonds3

About 7-fluoro-4-(1H-indol-4-ylamino)-1H-indole-2-carboxylic acid

7-fluoro-4-(1H-indol-4-ylamino)-1H-indole-2-carboxylic acid (PubChem CID 162669469) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 7-fluoro-4-(1H-indol-4-ylamino)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-4-(1H-indol-4-ylamino)-1H-indole-2-carboxylic acid
PubChem CID162669469
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name7-fluoro-4-(1H-indol-4-ylamino)-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(Nc3cccc4[nH]ccc34)ccc(F)c2[nH]1
InChIInChI=1S/C17H12FN3O2/c18-11-4-5-14(10-8-15(17(22)23)21-16(10)11)20-13-3-1-2-12-9(13)6-7-19-12/h1-8,19-21H,(H,22,23)
InChIKeyVWRDSQPPPLZHAE-UHFFFAOYSA-N
XLogP4.23
TPSA80.91 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(1H-indol-4-ylamino)-1H-indole-2-carboxylic acid?
The IUPAC name of 7-fluoro-4-(1H-indol-4-ylamino)-1H-indole-2-carboxylic acid (CID 162669469) is 7-fluoro-4-(1H-indol-4-ylamino)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-4-(1H-indol-4-ylamino)-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-fluoro-4-(1H-indol-4-ylamino)-1H-indole-2-carboxylic acid is O=C(O)c1cc2c(Nc3cccc4[nH]ccc34)ccc(F)c2[nH]1.
What is the InChIKey of 7-fluoro-4-(1H-indol-4-ylamino)-1H-indole-2-carboxylic acid?
The InChIKey is VWRDSQPPPLZHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c18-11-4-5-14(10-8-15(17(22)23)21-16(10)11)20-13-3-1-2-12-9(13)6-7-19-12/h1-8,19-21H,(H,22,23).
What are the key properties of 7-fluoro-4-(1H-indol-4-ylamino)-1H-indole-2-carboxylic acid?
7-fluoro-4-(1H-indol-4-ylamino)-1H-indole-2-carboxylic acid has a molecular weight of 309.30 g/mol, XLogP of 4.23, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(1H-indol-4-ylamino)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 162669469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).