5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

C24H28BrClFN7 — CID 89450740

IUPAC5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1ncnc(N2CCC(c3nc(-c4ccc(Cl)c(F)c4)cn3CCN3CCCC3)CC2)c1Br
InChIInChI=1S/C24H28BrClFN7/c25-21-22(28)29-15-30-24(21)33-9-5-16(6-10-33)23-31-20(17-3-4-18(26)19(27)13-17)14-34(23)12-11-32-7-1-2-8-32/h3-4,13-16H,1-2,5-12H2,(H2,28,29,30)
InChIKeyZWIYTRXREXLLRD-UHFFFAOYSA-N
MW548.89 g/mol
LogP4.96
Rot. Bonds6

About 5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 89450740) has the molecular formula C24H28BrClFN7 and a molecular weight of 548.89 g/mol. Its IUPAC name is 5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID89450740
Molecular FormulaC24H28BrClFN7
Molecular Weight548.89 g/mol
Exact Mass547.13
IUPAC Name5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESNc1ncnc(N2CCC(c3nc(-c4ccc(Cl)c(F)c4)cn3CCN3CCCC3)CC2)c1Br
InChIInChI=1S/C24H28BrClFN7/c25-21-22(28)29-15-30-24(21)33-9-5-16(6-10-33)23-31-20(17-3-4-18(26)19(27)13-17)14-34(23)12-11-32-7-1-2-8-32/h3-4,13-16H,1-2,5-12H2,(H2,28,29,30)
InChIKeyZWIYTRXREXLLRD-UHFFFAOYSA-N
XLogP4.96
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.89
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-6-[4-[4-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-5-ol
CID 144555011
5-bromo-6-[4-[1-(2-pyrrolidin-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450290
5-cyclobutyl-6-[4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450384
5-(4-fluorophenyl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-piperidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450703
6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-5-cyclobutylpyrimidin-4-amine
CID 164628705
4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(3-chloro-4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine
CID 74766669
6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-yloxypyrimidin-4-amine
CID 71516690
5-chloro-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 130255758
5-bromo-6-[4-[1-[2-(dimethylamino)ethyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 118300548
4-[4-[4-(3-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,6,7,8-tetrahydropteridine
CID 141413246
4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
CID 67264904
4-[4-[4-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-7,8-dihydro-5H-pyrido[2,3-d]pyrimidin-6-one
CID 159703786

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 89450740) is 5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is Nc1ncnc(N2CCC(c3nc(-c4ccc(Cl)c(F)c4)cn3CCN3CCCC3)CC2)c1Br.
What is the InChIKey of 5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is ZWIYTRXREXLLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrClFN7/c25-21-22(28)29-15-30-24(21)33-9-5-16(6-10-33)23-31-20(17-3-4-18(26)19(27)13-17)14-34(23)12-11-32-7-1-2-8-32/h3-4,13-16H,1-2,5-12H2,(H2,28,29,30).
What are the key properties of 5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 548.89 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[4-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 89450740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).