5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine

C23H30F3N5O3 — CID 134601218

IUPAC5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCOCCN(CCOC)C12CC(n3cc(-c4cnc(N)c(OC(F)(F)F)c4)nc3C3CC3)(C1)C2
InChIInChI=1S/C23H30F3N5O3/c1-32-7-5-30(6-8-33-2)21-12-22(13-21,14-21)31-11-17(29-20(31)15-3-4-15)16-9-18(19(27)28-10-16)34-23(24,25)26/h9-11,15H,3-8,12-14H2,1-2H3,(H2,27,28)
InChIKeyFLSBKYMUEHHJRX-UHFFFAOYSA-N
MW481.52 g/mol
LogP3.53
Rot. Bonds11

About 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 134601218) has the molecular formula C23H30F3N5O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID134601218
Molecular FormulaC23H30F3N5O3
Molecular Weight481.52 g/mol
Exact Mass481.23
IUPAC Name5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCOCCN(CCOC)C12CC(n3cc(-c4cnc(N)c(OC(F)(F)F)c4)nc3C3CC3)(C1)C2
InChIInChI=1S/C23H30F3N5O3/c1-32-7-5-30(6-8-33-2)21-12-22(13-21,14-21)31-11-17(29-20(31)15-3-4-15)16-9-18(19(27)28-10-16)34-23(24,25)26/h9-11,15H,3-8,12-14H2,1-2H3,(H2,27,28)
InChIKeyFLSBKYMUEHHJRX-UHFFFAOYSA-N
XLogP3.53
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 134601218) is 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine is COCCN(CCOC)C12CC(n3cc(-c4cnc(N)c(OC(F)(F)F)c4)nc3C3CC3)(C1)C2.
What is the InChIKey of 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is FLSBKYMUEHHJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O3/c1-32-7-5-30(6-8-33-2)21-12-22(13-21,14-21)31-11-17(29-20(31)15-3-4-15)16-9-18(19(27)28-10-16)34-23(24,25)26/h9-11,15H,3-8,12-14H2,1-2H3,(H2,27,28).
What are the key properties of 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 481.52 g/mol, XLogP of 3.53, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[1.1.1]pentanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 134601218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).