4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine

C27H24BrFN6 — CID 59641297

IUPAC4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(Cn2ccc4ccc(Br)cc42)CC3)n1
InChIInChI=1S/C27H24BrFN6/c1-2-30-27-31-13-11-22(32-27)26-25(18-4-7-20(29)8-5-18)33-24-10-9-21(35(24)26)16-34-14-12-17-3-6-19(28)15-23(17)34/h3-8,11-15,21H,2,9-10,16H2,1H3,(H,30,31,32)
InChIKeyCJXKBYUISWQZFH-UHFFFAOYSA-N
MW531.43 g/mol
LogP6.48
Rot. Bonds6

About 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine

4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine (PubChem CID 59641297) has the molecular formula C27H24BrFN6 and a molecular weight of 531.43 g/mol. Its IUPAC name is 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine
PubChem CID59641297
Molecular FormulaC27H24BrFN6
Molecular Weight531.43 g/mol
Exact Mass530.12
IUPAC Name4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(Cn2ccc4ccc(Br)cc42)CC3)n1
InChIInChI=1S/C27H24BrFN6/c1-2-30-27-31-13-11-22(32-27)26-25(18-4-7-20(29)8-5-18)33-24-10-9-21(35(24)26)16-34-14-12-17-3-6-19(28)15-23(17)34/h3-8,11-15,21H,2,9-10,16H2,1H3,(H,30,31,32)
InChIKeyCJXKBYUISWQZFH-UHFFFAOYSA-N
XLogP6.48
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.43
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine 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-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine?
The IUPAC name of 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine (CID 59641297) is 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine?
The canonical SMILES for 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine is CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(Cn2ccc4ccc(Br)cc42)CC3)n1.
What is the InChIKey of 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine?
The InChIKey is CJXKBYUISWQZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24BrFN6/c1-2-30-27-31-13-11-22(32-27)26-25(18-4-7-20(29)8-5-18)33-24-10-9-21(35(24)26)16-34-14-12-17-3-6-19(28)15-23(17)34/h3-8,11-15,21H,2,9-10,16H2,1H3,(H,30,31,32).
What are the key properties of 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine?
4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine has a molecular weight of 531.43 g/mol, XLogP of 6.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 59641297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).