1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]but-3-enyl]piperidin-4-ol

C21H26F3N5O2 — CID 135193416

IUPAC1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]but-3-enyl]piperidin-4-ol
SMILESC=C(CCN1CCC(O)CC1)n1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc1C1CC1
InChIInChI=1S/C21H26F3N5O2/c1-13(4-7-28-8-5-16(30)6-9-28)29-12-17(27-20(29)14-2-3-14)15-10-18(19(25)26-11-15)31-21(22,23)24/h10-12,14,16,30H,1-9H2,(H2,25,26)
InChIKeyZKXJXBFPPODNCH-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.62
Rot. Bonds7

About 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]but-3-enyl]piperidin-4-ol

1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]but-3-enyl]piperidin-4-ol (PubChem CID 135193416) has the molecular formula C21H26F3N5O2 and a molecular weight of 437.47 g/mol. Its IUPAC name is 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]but-3-enyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]but-3-enyl]piperidin-4-ol
PubChem CID135193416
Molecular FormulaC21H26F3N5O2
Molecular Weight437.47 g/mol
Exact Mass437.20
IUPAC Name1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]but-3-enyl]piperidin-4-ol
SMILESC=C(CCN1CCC(O)CC1)n1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc1C1CC1
InChIInChI=1S/C21H26F3N5O2/c1-13(4-7-28-8-5-16(30)6-9-28)29-12-17(27-20(29)14-2-3-14)15-10-18(19(25)26-11-15)31-21(22,23)24/h10-12,14,16,30H,1-9H2,(H2,25,26)
InChIKeyZKXJXBFPPODNCH-UHFFFAOYSA-N
XLogP3.62
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-cyclopropyl-1-[(1R,5S)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134281005
5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 167193748
5-[2-cyclopropyl-1-[3-[2-methoxyethyl(methyl)amino]but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 167193849
5-[2-cyclopropyl-1-[(1R,5S,6R)-3-(2-fluoroethyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134315947
4-[3-[2-cyclopropyl-4-[1-(2-fluoroethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-3-enyl]morpholine
CID 134600998
5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134601218
N-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide
CID 167500058
5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine
CID 142298603
5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 135193466
5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134316039
5-[2-cyclobutyl-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134601002
(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol
CID 134590142

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]but-3-enyl]piperidin-4-ol?
The IUPAC name of 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]but-3-enyl]piperidin-4-ol (CID 135193416) is 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]but-3-enyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]but-3-enyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]but-3-enyl]piperidin-4-ol is C=C(CCN1CCC(O)CC1)n1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc1C1CC1.
What is the InChIKey of 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]but-3-enyl]piperidin-4-ol?
The InChIKey is ZKXJXBFPPODNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5O2/c1-13(4-7-28-8-5-16(30)6-9-28)29-12-17(27-20(29)14-2-3-14)15-10-18(19(25)26-11-15)31-21(22,23)24/h10-12,14,16,30H,1-9H2,(H2,25,26).
What are the key properties of 1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]but-3-enyl]piperidin-4-ol?
1-[3-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]but-3-enyl]piperidin-4-ol has a molecular weight of 437.47 g/mol, XLogP of 3.62, 7 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]but-3-enyl]piperidin-4-ol is sourced from PubChem (CID 135193416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).