4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-1-methylindole-7-carboxylic acid

C26H24FN5O3 — CID 156759896

IUPAC4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-1-methylindole-7-carboxylic acid
SMILESCOc1ccc(F)c2c1cc(C)n2CCNc1cc(-c2ccc(C(=O)O)c3c2ccn3C)ncn1
InChIInChI=1S/C26H24FN5O3/c1-15-12-19-22(35-3)7-6-20(27)25(19)32(15)11-9-28-23-13-21(29-14-30-23)16-4-5-18(26(33)34)24-17(16)8-10-31(24)2/h4-8,10,12-14H,9,11H2,1-3H3,(H,33,34)(H,28,29,30)
InChIKeyHXGDTXNUAGSIOX-UHFFFAOYSA-N
MW473.51 g/mol
LogP4.86
Rot. Bonds7

About 4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-1-methylindole-7-carboxylic acid

4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-1-methylindole-7-carboxylic acid (PubChem CID 156759896) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is 4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-1-methylindole-7-carboxylic acid.

Molecular Properties

Compound Name4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-1-methylindole-7-carboxylic acid
PubChem CID156759896
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-1-methylindole-7-carboxylic acid
SMILESCOc1ccc(F)c2c1cc(C)n2CCNc1cc(-c2ccc(C(=O)O)c3c2ccn3C)ncn1
InChIInChI=1S/C26H24FN5O3/c1-15-12-19-22(35-3)7-6-20(27)25(19)32(15)11-9-28-23-13-21(29-14-30-23)16-4-5-18(26(33)34)24-17(16)8-10-31(24)2/h4-8,10,12-14H,9,11H2,1-3H3,(H,33,34)(H,28,29,30)
InChIKeyHXGDTXNUAGSIOX-UHFFFAOYSA-N
XLogP4.86
TPSA94.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-1-methylindole-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-1-methylindole-7-carboxylic acid?
The IUPAC name of 4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-1-methylindole-7-carboxylic acid (CID 156759896) is 4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-1-methylindole-7-carboxylic acid.
What is the SMILES notation for 4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-1-methylindole-7-carboxylic acid?
The canonical SMILES for 4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-1-methylindole-7-carboxylic acid is COc1ccc(F)c2c1cc(C)n2CCNc1cc(-c2ccc(C(=O)O)c3c2ccn3C)ncn1.
What is the InChIKey of 4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-1-methylindole-7-carboxylic acid?
The InChIKey is HXGDTXNUAGSIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-15-12-19-22(35-3)7-6-20(27)25(19)32(15)11-9-28-23-13-21(29-14-30-23)16-4-5-18(26(33)34)24-17(16)8-10-31(24)2/h4-8,10,12-14H,9,11H2,1-3H3,(H,33,34)(H,28,29,30).
What are the key properties of 4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-1-methylindole-7-carboxylic acid?
4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-1-methylindole-7-carboxylic acid has a molecular weight of 473.51 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-1-methylindole-7-carboxylic acid is sourced from PubChem (CID 156759896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).