5-ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

C26H31F4N7 — CID 71516738

IUPAC5-ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2C2CCNCC2)CC1
InChIInChI=1S/C26H31F4N7/c1-2-19-23(31)33-15-34-25(19)36-11-7-16(8-12-36)24-35-22(14-37(24)18-5-9-32-10-6-18)17-3-4-21(27)20(13-17)26(28,29)30/h3-4,13-16,18,32H,2,5-12H2,1H3,(H2,31,33,34)
InChIKeyJNWSILMDEXPLAM-UHFFFAOYSA-N
MW517.58 g/mol
LogP4.95
Rot. Bonds5

About 5-ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine

5-ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 71516738) has the molecular formula C26H31F4N7 and a molecular weight of 517.58 g/mol. Its IUPAC name is 5-ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID71516738
Molecular FormulaC26H31F4N7
Molecular Weight517.58 g/mol
Exact Mass517.26
IUPAC Name5-ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2C2CCNCC2)CC1
InChIInChI=1S/C26H31F4N7/c1-2-19-23(31)33-15-34-25(19)36-11-7-16(8-12-36)24-35-22(14-37(24)18-5-9-32-10-6-18)17-3-4-21(27)20(13-17)26(28,29)30/h3-4,13-16,18,32H,2,5-12H2,1H3,(H2,31,33,34)
InChIKeyJNWSILMDEXPLAM-UHFFFAOYSA-N
XLogP4.95
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.58
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine (CID 71516738) is 5-ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2C2CCNCC2)CC1.
What is the InChIKey of 5-ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is JNWSILMDEXPLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F4N7/c1-2-19-23(31)33-15-34-25(19)36-11-7-16(8-12-36)24-35-22(14-37(24)18-5-9-32-10-6-18)17-3-4-21(27)20(13-17)26(28,29)30/h3-4,13-16,18,32H,2,5-12H2,1H3,(H2,31,33,34).
What are the key properties of 5-ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine?
5-ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 517.58 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-piperidin-4-ylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 71516738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).