(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol

C23H30F3N5O3 — CID 134601065

IUPAC(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol
SMILESCC(C)[C@@H](O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(C1)C(N1CCOCC1)C2
InChIInChI=1S/C23H30F3N5O3/c1-13(2)19(32)21-29-16(14-7-18(20(27)28-11-14)34-23(24,25)26)12-31(21)22-8-15(9-22)17(10-22)30-3-5-33-6-4-30/h7,11-13,15,17,19,32H,3-6,8-10H2,1-2H3,(H2,27,28)/t15?,17?,19-,22?/m1/s1
InChIKeyCXEWQXVSOOMONK-GMUKYJGBSA-N
MW481.52 g/mol
LogP3.33
Rot. Bonds6

About (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol

(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol (PubChem CID 134601065) has the molecular formula C23H30F3N5O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol
PubChem CID134601065
Molecular FormulaC23H30F3N5O3
Molecular Weight481.52 g/mol
Exact Mass481.23
IUPAC Name(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol
SMILESCC(C)[C@@H](O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(C1)C(N1CCOCC1)C2
InChIInChI=1S/C23H30F3N5O3/c1-13(2)19(32)21-29-16(14-7-18(20(27)28-11-14)34-23(24,25)26)12-31(21)22-8-15(9-22)17(10-22)30-3-5-33-6-4-30/h7,11-13,15,17,19,32H,3-6,8-10H2,1-2H3,(H2,27,28)/t15?,17?,19-,22?/m1/s1
InChIKeyCXEWQXVSOOMONK-GMUKYJGBSA-N
XLogP3.33
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol?
The IUPAC name of (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol (CID 134601065) is (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol.
What is the SMILES notation for (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol?
The canonical SMILES for (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol is CC(C)[C@@H](O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(C1)C(N1CCOCC1)C2.
What is the InChIKey of (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol?
The InChIKey is CXEWQXVSOOMONK-GMUKYJGBSA-N. The full InChI is InChI=1S/C23H30F3N5O3/c1-13(2)19(32)21-29-16(14-7-18(20(27)28-11-14)34-23(24,25)26)12-31(21)22-8-15(9-22)17(10-22)30-3-5-33-6-4-30/h7,11-13,15,17,19,32H,3-6,8-10H2,1-2H3,(H2,27,28)/t15?,17?,19-,22?/m1/s1.
What are the key properties of (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol?
(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol has a molecular weight of 481.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[2.1.1]hexanyl)imidazol-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 134601065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).