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

C26H32FN7 — CID 89450365

IUPAC5-ethenyl-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESC=Cc1c(N)ncnc1N1CCC(c2nc(-c3cccc(F)c3)cn2CCN2CCCC2)CC1
InChIInChI=1S/C26H32FN7/c1-2-22-24(28)29-18-30-26(22)33-12-8-19(9-13-33)25-31-23(20-6-5-7-21(27)16-20)17-34(25)15-14-32-10-3-4-11-32/h2,5-7,16-19H,1,3-4,8-15H2,(H2,28,29,30)
InChIKeyUSJIOUUNHSENIY-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.18
Rot. Bonds7

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

5-ethenyl-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 89450365) has the molecular formula C26H32FN7 and a molecular weight of 461.59 g/mol. Its IUPAC name is 5-ethenyl-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethenyl-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID89450365
Molecular FormulaC26H32FN7
Molecular Weight461.59 g/mol
Exact Mass461.27
IUPAC Name5-ethenyl-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESC=Cc1c(N)ncnc1N1CCC(c2nc(-c3cccc(F)c3)cn2CCN2CCCC2)CC1
InChIInChI=1S/C26H32FN7/c1-2-22-24(28)29-18-30-26(22)33-12-8-19(9-13-33)25-31-23(20-6-5-7-21(27)16-20)17-34(25)15-14-32-10-3-4-11-32/h2,5-7,16-19H,1,3-4,8-15H2,(H2,28,29,30)
InChIKeyUSJIOUUNHSENIY-UHFFFAOYSA-N
XLogP4.18
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-ethenyl-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 5164
CID 5164
CID 5172
CID 5172
CID 51049607
CID 51049607
CID 9806182
CID 9806182
CID 447721
CID 447721
CID 188942
CID 188942
CID 9797240
CID 9797240
CID 9863367
CID 9863367
CID 735319
CID 735319
CID 11681588
CID 11681588
CID 10133248
CID 10133248
CID 122179546
CID 122179546

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-ethenyl-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 89450365) is 5-ethenyl-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethenyl-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-ethenyl-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is C=Cc1c(N)ncnc1N1CCC(c2nc(-c3cccc(F)c3)cn2CCN2CCCC2)CC1.
What is the InChIKey of 5-ethenyl-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is USJIOUUNHSENIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7/c1-2-22-24(28)29-18-30-26(22)33-12-8-19(9-13-33)25-31-23(20-6-5-7-21(27)16-20)17-34(25)15-14-32-10-3-4-11-32/h2,5-7,16-19H,1,3-4,8-15H2,(H2,28,29,30).
What are the key properties of 5-ethenyl-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
5-ethenyl-6-[4-[4-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 461.59 g/mol, XLogP of 4.18, 7 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-(3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 89450365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).