5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine

C23H30F3N5O2 — CID 135193334

IUPAC5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCCCc1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2CC
InChIInChI=1S/C23H30F3N5O2/c1-3-5-19-29-16(15-10-17(20(27)28-11-15)33-23(24,25)26)12-31(19)22-13-21(14-22,18(22)4-2)30-6-8-32-9-7-30/h10-12,18H,3-9,13-14H2,1-2H3,(H2,27,28)
InChIKeyCTLAMIFLDMEJPY-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.98
Rot. Bonds7

About 5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 135193334) has the molecular formula C23H30F3N5O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID135193334
Molecular FormulaC23H30F3N5O2
Molecular Weight465.52 g/mol
Exact Mass465.24
IUPAC Name5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCCCc1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2CC
InChIInChI=1S/C23H30F3N5O2/c1-3-5-19-29-16(15-10-17(20(27)28-11-15)33-23(24,25)26)12-31(19)22-13-21(14-22,18(22)4-2)30-6-8-32-9-7-30/h10-12,18H,3-9,13-14H2,1-2H3,(H2,27,28)
InChIKeyCTLAMIFLDMEJPY-UHFFFAOYSA-N
XLogP3.98
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 135193334) is 5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine is CCCc1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2CC.
What is the InChIKey of 5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is CTLAMIFLDMEJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O2/c1-3-5-19-29-16(15-10-17(20(27)28-11-15)33-23(24,25)26)12-31(19)22-13-21(14-22,18(22)4-2)30-6-8-32-9-7-30/h10-12,18H,3-9,13-14H2,1-2H3,(H2,27,28).
What are the key properties of 5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 465.52 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 135193334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).