4-[1-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1-methylpiperidin-4-ol

C25H29F3N6O — CID 10005638

IUPAC4-[1-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2cn(-c3ccnc(NC4CCCC4)n3)c(-c3cccc(C(F)(F)F)c3)n2)CC1
InChIInChI=1S/C25H29F3N6O/c1-33-13-10-24(35,11-14-33)20-16-34(21-9-12-29-23(32-21)30-19-7-2-3-8-19)22(31-20)17-5-4-6-18(15-17)25(26,27)28/h4-6,9,12,15-16,19,35H,2-3,7-8,10-11,13-14H2,1H3,(H,29,30,32)
InChIKeyNTPLIHVIDFWRGV-UHFFFAOYSA-N
MW486.54 g/mol
LogP4.62
Rot. Bonds5

About 4-[1-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1-methylpiperidin-4-ol

4-[1-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1-methylpiperidin-4-ol (PubChem CID 10005638) has the molecular formula C25H29F3N6O and a molecular weight of 486.54 g/mol. Its IUPAC name is 4-[1-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[1-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1-methylpiperidin-4-ol
PubChem CID10005638
Molecular FormulaC25H29F3N6O
Molecular Weight486.54 g/mol
Exact Mass486.24
IUPAC Name4-[1-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2cn(-c3ccnc(NC4CCCC4)n3)c(-c3cccc(C(F)(F)F)c3)n2)CC1
InChIInChI=1S/C25H29F3N6O/c1-33-13-10-24(35,11-14-33)20-16-34(21-9-12-29-23(32-21)30-19-7-2-3-8-19)22(31-20)17-5-4-6-18(15-17)25(26,27)28/h4-6,9,12,15-16,19,35H,2-3,7-8,10-11,13-14H2,1H3,(H,29,30,32)
InChIKeyNTPLIHVIDFWRGV-UHFFFAOYSA-N
XLogP4.62
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[1-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1-methylpiperidin-4-ol (CID 10005638) is 4-[1-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[1-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[1-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1-methylpiperidin-4-ol is CN1CCC(O)(c2cn(-c3ccnc(NC4CCCC4)n3)c(-c3cccc(C(F)(F)F)c3)n2)CC1.
What is the InChIKey of 4-[1-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1-methylpiperidin-4-ol?
The InChIKey is NTPLIHVIDFWRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N6O/c1-33-13-10-24(35,11-14-33)20-16-34(21-9-12-29-23(32-21)30-19-7-2-3-8-19)22(31-20)17-5-4-6-18(15-17)25(26,27)28/h4-6,9,12,15-16,19,35H,2-3,7-8,10-11,13-14H2,1H3,(H,29,30,32).
What are the key properties of 4-[1-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1-methylpiperidin-4-ol?
4-[1-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1-methylpiperidin-4-ol has a molecular weight of 486.54 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 10005638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).