1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol

C22H26F3N5O2 — CID 134590088

IUPAC1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol
SMILESNc1ncc(-c2cn(C34CC(N5CCC(O)CC5)(C3)C4)c(C3CC3)n2)cc1OC(F)(F)F
InChIInChI=1S/C22H26F3N5O2/c23-22(24,25)32-17-7-14(8-27-18(17)26)16-9-30(19(28-16)13-1-2-13)21-10-20(11-21,12-21)29-5-3-15(31)4-6-29/h7-9,13,15,31H,1-6,10-12H2,(H2,26,27)
InChIKeyFPTROKYTSUQBHX-UHFFFAOYSA-N
MW449.48 g/mol
LogP3.39
Rot. Bonds5

About 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol

1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol (PubChem CID 134590088) has the molecular formula C22H26F3N5O2 and a molecular weight of 449.48 g/mol. Its IUPAC name is 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol
PubChem CID134590088
Molecular FormulaC22H26F3N5O2
Molecular Weight449.48 g/mol
Exact Mass449.20
IUPAC Name1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol
SMILESNc1ncc(-c2cn(C34CC(N5CCC(O)CC5)(C3)C4)c(C3CC3)n2)cc1OC(F)(F)F
InChIInChI=1S/C22H26F3N5O2/c23-22(24,25)32-17-7-14(8-27-18(17)26)16-9-30(19(28-16)13-1-2-13)21-10-20(11-21,12-21)29-5-3-15(31)4-6-29/h7-9,13,15,31H,1-6,10-12H2,(H2,26,27)
InChIKeyFPTROKYTSUQBHX-UHFFFAOYSA-N
XLogP3.39
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol?
The IUPAC name of 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol (CID 134590088) is 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol is Nc1ncc(-c2cn(C34CC(N5CCC(O)CC5)(C3)C4)c(C3CC3)n2)cc1OC(F)(F)F.
What is the InChIKey of 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol?
The InChIKey is FPTROKYTSUQBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O2/c23-22(24,25)32-17-7-14(8-27-18(17)26)16-9-30(19(28-16)13-1-2-13)21-10-20(11-21,12-21)29-5-3-15(31)4-6-29/h7-9,13,15,31H,1-6,10-12H2,(H2,26,27).
What are the key properties of 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol?
1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol has a molecular weight of 449.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol is sourced from PubChem (CID 134590088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).