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

C22H28F3N5O — CID 134601023

IUPAC5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)Cc1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2
InChIInChI=1S/C22H28F3N5O/c1-14(2)7-18-28-17(15-8-16(22(23,24)25)19(26)27-9-15)10-30(18)21-11-20(12-21,13-21)29-3-5-31-6-4-29/h8-10,14H,3-7,11-13H2,1-2H3,(H2,26,27)
InChIKeyLLEUSGWCBPHXJX-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.71
Rot. Bonds5

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

5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 134601023) has the molecular formula C22H28F3N5O and a molecular weight of 435.49 g/mol. Its IUPAC name is 5-[2-(2-methylpropyl)-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-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID134601023
Molecular FormulaC22H28F3N5O
Molecular Weight435.49 g/mol
Exact Mass435.22
IUPAC Name5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)Cc1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2
InChIInChI=1S/C22H28F3N5O/c1-14(2)7-18-28-17(15-8-16(22(23,24)25)19(26)27-9-15)10-30(18)21-11-20(12-21,13-21)29-3-5-31-6-4-29/h8-10,14H,3-7,11-13H2,1-2H3,(H2,26,27)
InChIKeyLLEUSGWCBPHXJX-UHFFFAOYSA-N
XLogP3.71
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylpropyl)-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-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 134601023) is 5-[2-(2-methylpropyl)-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-methylpropyl)-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-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)Cc1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(N3CCOCC3)(C1)C2.
What is the InChIKey of 5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LLEUSGWCBPHXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N5O/c1-14(2)7-18-28-17(15-8-16(22(23,24)25)19(26)27-9-15)10-30(18)21-11-20(12-21,13-21)29-3-5-31-6-4-29/h8-10,14H,3-7,11-13H2,1-2H3,(H2,26,27).
What are the key properties of 5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 435.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134601023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).