1-[2-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-4-yl]-2,3-dihydroindole

C20H17FN4 — CID 926200

IUPAC1-[2-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-4-yl]-2,3-dihydroindole
SMILESFc1cnc(N2CCc3ccccc32)nc1N1CCc2ccccc21
InChIInChI=1S/C20H17FN4/c21-16-13-22-20(25-12-10-15-6-2-4-8-18(15)25)23-19(16)24-11-9-14-5-1-3-7-17(14)24/h1-8,13H,9-12H2
InChIKeyRQFFCEPEXOAEFN-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.00
Rot. Bonds2

About 1-[2-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-4-yl]-2,3-dihydroindole

1-[2-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-4-yl]-2,3-dihydroindole (PubChem CID 926200) has the molecular formula C20H17FN4 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-4-yl]-2,3-dihydroindole
PubChem CID926200
Molecular FormulaC20H17FN4
Molecular Weight332.38 g/mol
Exact Mass332.14
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-4-yl]-2,3-dihydroindole
SMILESFc1cnc(N2CCc3ccccc32)nc1N1CCc2ccccc21
InChIInChI=1S/C20H17FN4/c21-16-13-22-20(25-12-10-15-6-2-4-8-18(15)25)23-19(16)24-11-9-14-5-1-3-7-17(14)24/h1-8,13H,9-12H2
InChIKeyRQFFCEPEXOAEFN-UHFFFAOYSA-N
XLogP4.00
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-4-yl]-2,3-dihydroindole?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-4-yl]-2,3-dihydroindole (CID 926200) is 1-[2-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-4-yl]-2,3-dihydroindole?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-4-yl]-2,3-dihydroindole is Fc1cnc(N2CCc3ccccc32)nc1N1CCc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-4-yl]-2,3-dihydroindole?
The InChIKey is RQFFCEPEXOAEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4/c21-16-13-22-20(25-12-10-15-6-2-4-8-18(15)25)23-19(16)24-11-9-14-5-1-3-7-17(14)24/h1-8,13H,9-12H2.
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-4-yl]-2,3-dihydroindole?
1-[2-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-4-yl]-2,3-dihydroindole has a molecular weight of 332.38 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)-5-fluoropyrimidin-4-yl]-2,3-dihydroindole is sourced from PubChem (CID 926200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).