7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine

C23H21BrFN5 — CID 155755183

IUPAC7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine
SMILESFc1ccccc1N1CCN(c2ncnc3c2c(Br)cn3Cc2ccccc2)CC1
InChIInChI=1S/C23H21BrFN5/c24-18-15-30(14-17-6-2-1-3-7-17)23-21(18)22(26-16-27-23)29-12-10-28(11-13-29)20-9-5-4-8-19(20)25/h1-9,15-16H,10-14H2
InChIKeyMZBPSODKHDMEJB-UHFFFAOYSA-N
MW466.36 g/mol
LogP4.71
Rot. Bonds4

About 7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine

7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine (PubChem CID 155755183) has the molecular formula C23H21BrFN5 and a molecular weight of 466.36 g/mol. Its IUPAC name is 7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine
PubChem CID155755183
Molecular FormulaC23H21BrFN5
Molecular Weight466.36 g/mol
Exact Mass465.10
IUPAC Name7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine
SMILESFc1ccccc1N1CCN(c2ncnc3c2c(Br)cn3Cc2ccccc2)CC1
InChIInChI=1S/C23H21BrFN5/c24-18-15-30(14-17-6-2-1-3-7-17)23-21(18)22(26-16-27-23)29-12-10-28(11-13-29)20-9-5-4-8-19(20)25/h1-9,15-16H,10-14H2
InChIKeyMZBPSODKHDMEJB-UHFFFAOYSA-N
XLogP4.71
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)acetic acid
CID 68877949
4,6-bis[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19153662
7-benzyl-4-chloro-5-fluoropyrrolo[2,3-d]pyrimidine
CID 84819802
4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 23477613
6-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]quinazoline
CID 87020699
4-(4-ethylpiperazin-1-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidine
CID 110433764
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19144398
N,N-dibenzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 23488416
4-chloro-7-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-5-methylpyrrolo[2,3-d]pyrimidine
CID 134536021
4-[4-(2-fluorophenyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 4291606
1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 18078344
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine (CID 155755183) is 7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine is Fc1ccccc1N1CCN(c2ncnc3c2c(Br)cn3Cc2ccccc2)CC1.
What is the InChIKey of 7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine?
The InChIKey is MZBPSODKHDMEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrFN5/c24-18-15-30(14-17-6-2-1-3-7-17)23-21(18)22(26-16-27-23)29-12-10-28(11-13-29)20-9-5-4-8-19(20)25/h1-9,15-16H,10-14H2.
What are the key properties of 7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine?
7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 466.36 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-5-bromo-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 155755183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).