[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol

C18H19F3N4O — CID 134590084

IUPAC[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol
SMILESNc1ncc(-c2cn(C34CC(C3)C4)c(C(O)C3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)12-3-11(7-23-15(12)22)13-8-25(17-4-9(5-17)6-17)16(24-13)14(26)10-1-2-10/h3,7-10,14,26H,1-2,4-6H2,(H2,22,23)
InChIKeyVFQSWWJADDGPOZ-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.50
Rot. Bonds4

About [4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol

[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol (PubChem CID 134590084) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is [4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol.

Molecular Properties

Compound Name[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol
PubChem CID134590084
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol
SMILESNc1ncc(-c2cn(C34CC(C3)C4)c(C(O)C3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)12-3-11(7-23-15(12)22)13-8-25(17-4-9(5-17)6-17)16(24-13)14(26)10-1-2-10/h3,7-10,14,26H,1-2,4-6H2,(H2,22,23)
InChIKeyVFQSWWJADDGPOZ-UHFFFAOYSA-N
XLogP3.50
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol 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 [4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol?
The IUPAC name of [4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol (CID 134590084) is [4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol.
What is the SMILES notation for [4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol?
The canonical SMILES for [4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol is Nc1ncc(-c2cn(C34CC(C3)C4)c(C(O)C3CC3)n2)cc1C(F)(F)F.
What is the InChIKey of [4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol?
The InChIKey is VFQSWWJADDGPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)12-3-11(7-23-15(12)22)13-8-25(17-4-9(5-17)6-17)16(24-13)14(26)10-1-2-10/h3,7-10,14,26H,1-2,4-6H2,(H2,22,23).
What are the key properties of [4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol?
[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol has a molecular weight of 364.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol is sourced from PubChem (CID 134590084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).