1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole

C22H22FN5 — CID 112898508

IUPAC1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole
SMILESFc1ccccc1N1CCN(c2nccc(N3CCc4ccccc43)n2)CC1
InChIInChI=1S/C22H22FN5/c23-18-6-2-4-8-20(18)26-13-15-27(16-14-26)22-24-11-9-21(25-22)28-12-10-17-5-1-3-7-19(17)28/h1-9,11H,10,12-16H2
InChIKeyJDNQHFTYUUQLBT-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.64
Rot. Bonds3

About 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole

1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole (PubChem CID 112898508) has the molecular formula C22H22FN5 and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole
PubChem CID112898508
Molecular FormulaC22H22FN5
Molecular Weight375.45 g/mol
Exact Mass375.19
IUPAC Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole
SMILESFc1ccccc1N1CCN(c2nccc(N3CCc4ccccc43)n2)CC1
InChIInChI=1S/C22H22FN5/c23-18-6-2-4-8-20(18)26-13-15-27(16-14-26)22-24-11-9-21(25-22)28-12-10-17-5-1-3-7-19(17)28/h1-9,11H,10,12-16H2
InChIKeyJDNQHFTYUUQLBT-UHFFFAOYSA-N
XLogP3.64
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112888146
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112884067
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-piperidin-1-ylpyrimidine
CID 112884490
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 112884673
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 115978112
1-[4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]-2,3-dihydroindole
CID 112923655
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112898344
1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112885319
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline
CID 112898916
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole
CID 59743394

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole?
The IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole (CID 112898508) is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole?
The canonical SMILES for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole is Fc1ccccc1N1CCN(c2nccc(N3CCc4ccccc43)n2)CC1.
What is the InChIKey of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole?
The InChIKey is JDNQHFTYUUQLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5/c23-18-6-2-4-8-20(18)26-13-15-27(16-14-26)22-24-11-9-21(25-22)28-12-10-17-5-1-3-7-19(17)28/h1-9,11H,10,12-16H2.
What are the key properties of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole?
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole has a molecular weight of 375.45 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole is sourced from PubChem (CID 112898508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).