4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine

C15H11FN4O — CID 141061973

IUPAC4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1cc2c(F)c(Oc3ncnc4[nH]ccc34)ccc2[nH]1
InChIInChI=1S/C15H11FN4O/c1-8-6-10-11(20-8)2-3-12(13(10)16)21-15-9-4-5-17-14(9)18-7-19-15/h2-7,20H,1H3,(H,17,18,19)
InChIKeyCVLCSOWXHTYFNF-UHFFFAOYSA-N
MW282.28 g/mol
LogP3.68
Rot. Bonds2

About 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 141061973) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID141061973
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1cc2c(F)c(Oc3ncnc4[nH]ccc34)ccc2[nH]1
InChIInChI=1S/C15H11FN4O/c1-8-6-10-11(20-8)2-3-12(13(10)16)21-15-9-4-5-17-14(9)18-7-19-15/h2-7,20H,1H3,(H,17,18,19)
InChIKeyCVLCSOWXHTYFNF-UHFFFAOYSA-N
XLogP3.68
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine 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-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine (CID 141061973) is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine is Cc1cc2c(F)c(Oc3ncnc4[nH]ccc34)ccc2[nH]1.
What is the InChIKey of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is CVLCSOWXHTYFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c1-8-6-10-11(20-8)2-3-12(13(10)16)21-15-9-4-5-17-14(9)18-7-19-15/h2-7,20H,1H3,(H,17,18,19).
What are the key properties of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine?
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 282.28 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 141061973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).