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

C18H19F3N4O — CID 134590082

IUPAC(R)-[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@H](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)/t9?,14-,17?/m1/s1
InChIKeyVFQSWWJADDGPOZ-LTITZTOOSA-N
MW364.37 g/mol
LogP3.50
Rot. Bonds4

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

(R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol (PubChem CID 134590082) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol.

Molecular Properties

Compound Name(R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol
PubChem CID134590082
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name(R)-[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@H](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)/t9?,14-,17?/m1/s1
InChIKeyVFQSWWJADDGPOZ-LTITZTOOSA-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

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Frequently Asked Questions

What is the IUPAC name of (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol?
The IUPAC name of (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol (CID 134590082) is (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol.
What is the SMILES notation for (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol?
The canonical SMILES for (R)-[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@H](O)C3CC3)n2)cc1C(F)(F)F.
What is the InChIKey of (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol?
The InChIKey is VFQSWWJADDGPOZ-LTITZTOOSA-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)/t9?,14-,17?/m1/s1.
What are the key properties of (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol?
(R)-[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 (R)-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-cyclopropylmethanol is sourced from PubChem (CID 134590082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).