5-[2-(2,2-dimethylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

C23H30F3N5O — CID 134601026

IUPAC5-[2-(2,2-dimethylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(C)Cc1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2
InChIInChI=1S/C23H30F3N5O/c1-20(2,3)9-18-29-17(15-8-16(23(24,25)26)19(27)28-10-15)11-31(18)22-12-21(13-22,14-22)30-4-6-32-7-5-30/h8,10-11H,4-7,9,12-14H2,1-3H3,(H2,27,28)
InChIKeyACVAPYGCKDDHQE-UHFFFAOYSA-N
MW449.52 g/mol
LogP4.10
Rot. Bonds4

About 5-[2-(2,2-dimethylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[2-(2,2-dimethylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 134601026) has the molecular formula C23H30F3N5O and a molecular weight of 449.52 g/mol. Its IUPAC name is 5-[2-(2,2-dimethylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(2,2-dimethylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID134601026
Molecular FormulaC23H30F3N5O
Molecular Weight449.52 g/mol
Exact Mass449.24
IUPAC Name5-[2-(2,2-dimethylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(C)Cc1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2
InChIInChI=1S/C23H30F3N5O/c1-20(2,3)9-18-29-17(15-8-16(23(24,25)26)19(27)28-10-15)11-31(18)22-12-21(13-22,14-22)30-4-6-32-7-5-30/h8,10-11H,4-7,9,12-14H2,1-3H3,(H2,27,28)
InChIKeyACVAPYGCKDDHQE-UHFFFAOYSA-N
XLogP4.10
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,2-dimethylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-(2,2-dimethylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 134601026) is 5-[2-(2,2-dimethylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-(2,2-dimethylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-(2,2-dimethylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)(C)Cc1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2.
What is the InChIKey of 5-[2-(2,2-dimethylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ACVAPYGCKDDHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O/c1-20(2,3)9-18-29-17(15-8-16(23(24,25)26)19(27)28-10-15)11-31(18)22-12-21(13-22,14-22)30-4-6-32-7-5-30/h8,10-11H,4-7,9,12-14H2,1-3H3,(H2,27,28).
What are the key properties of 5-[2-(2,2-dimethylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[2-(2,2-dimethylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 449.52 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2-dimethylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134601026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).