5-ethenyl-6-[4-[4-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine

C27H34FN7 — CID 130255187

IUPAC5-ethenyl-6-[4-[4-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
SMILESC=Cc1c(NC)ncnc1N1CCC(c2nc(-c3ccc(F)cc3)cn2CCN2CCCC2)CC1
InChIInChI=1S/C27H34FN7/c1-3-23-25(29-2)30-19-31-27(23)34-14-10-21(11-15-34)26-32-24(20-6-8-22(28)9-7-20)18-35(26)17-16-33-12-4-5-13-33/h3,6-9,18-19,21H,1,4-5,10-17H2,2H3,(H,29,30,31)
InChIKeyDGPOQZDKBSVTLR-UHFFFAOYSA-N
MW475.62 g/mol
LogP4.64
Rot. Bonds8

About 5-ethenyl-6-[4-[4-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine

5-ethenyl-6-[4-[4-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 130255187) has the molecular formula C27H34FN7 and a molecular weight of 475.62 g/mol. Its IUPAC name is 5-ethenyl-6-[4-[4-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethenyl-6-[4-[4-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID130255187
Molecular FormulaC27H34FN7
Molecular Weight475.62 g/mol
Exact Mass475.29
IUPAC Name5-ethenyl-6-[4-[4-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
SMILESC=Cc1c(NC)ncnc1N1CCC(c2nc(-c3ccc(F)cc3)cn2CCN2CCCC2)CC1
InChIInChI=1S/C27H34FN7/c1-3-23-25(29-2)30-19-31-27(23)34-14-10-21(11-15-34)26-32-24(20-6-8-22(28)9-7-20)18-35(26)17-16-33-12-4-5-13-33/h3,6-9,18-19,21H,1,4-5,10-17H2,2H3,(H,29,30,31)
InChIKeyDGPOQZDKBSVTLR-UHFFFAOYSA-N
XLogP4.64
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-ethyl-6-[4-[4-(4-fluorophenyl)-1-[2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl]imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 130255728
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
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
5-cyclobutyl-6-[4-[4-(3,4-difluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450384
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-[4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89450740
5-ethoxy-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(propan-2-ylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 130255743
4-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 59322372
4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 74766899
6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 130255714
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

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-[4-[4-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-ethenyl-6-[4-[4-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine (CID 130255187) is 5-ethenyl-6-[4-[4-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-ethenyl-6-[4-[4-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-ethenyl-6-[4-[4-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine is C=Cc1c(NC)ncnc1N1CCC(c2nc(-c3ccc(F)cc3)cn2CCN2CCCC2)CC1.
What is the InChIKey of 5-ethenyl-6-[4-[4-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is DGPOQZDKBSVTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN7/c1-3-23-25(29-2)30-19-31-27(23)34-14-10-21(11-15-34)26-32-24(20-6-8-22(28)9-7-20)18-35(26)17-16-33-12-4-5-13-33/h3,6-9,18-19,21H,1,4-5,10-17H2,2H3,(H,29,30,31).
What are the key properties of 5-ethenyl-6-[4-[4-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine?
5-ethenyl-6-[4-[4-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 475.62 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-[4-[4-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 130255187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).