7-[(2-bromo-5-fluorophenyl)methyl]-2,4-diphenylpyrrolo[2,3-d]pyrimidine

C25H17BrFN3 — CID 134851306

IUPAC7-[(2-bromo-5-fluorophenyl)methyl]-2,4-diphenylpyrrolo[2,3-d]pyrimidine
SMILESFc1ccc(Br)c(Cn2ccc3c(-c4ccccc4)nc(-c4ccccc4)nc32)c1
InChIInChI=1S/C25H17BrFN3/c26-22-12-11-20(27)15-19(22)16-30-14-13-21-23(17-7-3-1-4-8-17)28-24(29-25(21)30)18-9-5-2-6-10-18/h1-15H,16H2
InChIKeyDPLRYLAWAUREOU-UHFFFAOYSA-N
MW458.33 g/mol
LogP6.72
Rot. Bonds4

About 7-[(2-bromo-5-fluorophenyl)methyl]-2,4-diphenylpyrrolo[2,3-d]pyrimidine

7-[(2-bromo-5-fluorophenyl)methyl]-2,4-diphenylpyrrolo[2,3-d]pyrimidine (PubChem CID 134851306) has the molecular formula C25H17BrFN3 and a molecular weight of 458.33 g/mol. Its IUPAC name is 7-[(2-bromo-5-fluorophenyl)methyl]-2,4-diphenylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-[(2-bromo-5-fluorophenyl)methyl]-2,4-diphenylpyrrolo[2,3-d]pyrimidine
PubChem CID134851306
Molecular FormulaC25H17BrFN3
Molecular Weight458.33 g/mol
Exact Mass457.06
IUPAC Name7-[(2-bromo-5-fluorophenyl)methyl]-2,4-diphenylpyrrolo[2,3-d]pyrimidine
SMILESFc1ccc(Br)c(Cn2ccc3c(-c4ccccc4)nc(-c4ccccc4)nc32)c1
InChIInChI=1S/C25H17BrFN3/c26-22-12-11-20(27)15-19(22)16-30-14-13-21-23(17-7-3-1-4-8-17)28-24(29-25(21)30)18-9-5-2-6-10-18/h1-15H,16H2
InChIKeyDPLRYLAWAUREOU-UHFFFAOYSA-N
XLogP6.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.33
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Bromophenyl)imidazo[1,2-a]pyridine
CID 623416
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 3257208
N-(3-bromophenyl)-9-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 5328393
4-{7-[2-(Dimethylamino)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 10339487
6-(4-(4-methylpiperazin-1-yl)benzyl)-7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 17968234
4-[2-(3-Bromo-4-fluorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745379
4-[7-(3-Dimethylaminopropyl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24887417
4-[7-Diethylaminomethyl-2-(4-fluorophenyl)imidazo-[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24888084
7-(2,2-dimethyl-propyl)-6-(4-methyl-benzyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444204
4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-ylamine
CID 44444873
5-[(4-Bromophenyl)methyl]-2-(3-fluorophenyl)imidazo[4,5-c]pyridine
CID 10045421

Frequently Asked Questions

What is the IUPAC name of 7-[(2-bromo-5-fluorophenyl)methyl]-2,4-diphenylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-[(2-bromo-5-fluorophenyl)methyl]-2,4-diphenylpyrrolo[2,3-d]pyrimidine (CID 134851306) is 7-[(2-bromo-5-fluorophenyl)methyl]-2,4-diphenylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-[(2-bromo-5-fluorophenyl)methyl]-2,4-diphenylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-[(2-bromo-5-fluorophenyl)methyl]-2,4-diphenylpyrrolo[2,3-d]pyrimidine is Fc1ccc(Br)c(Cn2ccc3c(-c4ccccc4)nc(-c4ccccc4)nc32)c1.
What is the InChIKey of 7-[(2-bromo-5-fluorophenyl)methyl]-2,4-diphenylpyrrolo[2,3-d]pyrimidine?
The InChIKey is DPLRYLAWAUREOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrFN3/c26-22-12-11-20(27)15-19(22)16-30-14-13-21-23(17-7-3-1-4-8-17)28-24(29-25(21)30)18-9-5-2-6-10-18/h1-15H,16H2.
What are the key properties of 7-[(2-bromo-5-fluorophenyl)methyl]-2,4-diphenylpyrrolo[2,3-d]pyrimidine?
7-[(2-bromo-5-fluorophenyl)methyl]-2,4-diphenylpyrrolo[2,3-d]pyrimidine has a molecular weight of 458.33 g/mol, XLogP of 6.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-bromo-5-fluorophenyl)methyl]-2,4-diphenylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 134851306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).