5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine

C24H32F3N5O3 — CID 135193466

IUPAC5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCOCCN(CCOC)C1CC2(n3cc(-c4cnc(N)c(OC(F)(F)F)c4)nc3C3CC3)CCC12
InChIInChI=1S/C24H32F3N5O3/c1-33-9-7-31(8-10-34-2)19-12-23(6-5-17(19)23)32-14-18(30-22(32)15-3-4-15)16-11-20(21(28)29-13-16)35-24(25,26)27/h11,13-15,17,19H,3-10,12H2,1-2H3,(H2,28,29)
InChIKeyDZNBOIJORZEQFX-UHFFFAOYSA-N
MW495.55 g/mol
LogP3.78
Rot. Bonds11

About 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 135193466) has the molecular formula C24H32F3N5O3 and a molecular weight of 495.55 g/mol. Its IUPAC name is 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID135193466
Molecular FormulaC24H32F3N5O3
Molecular Weight495.55 g/mol
Exact Mass495.25
IUPAC Name5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCOCCN(CCOC)C1CC2(n3cc(-c4cnc(N)c(OC(F)(F)F)c4)nc3C3CC3)CCC12
InChIInChI=1S/C24H32F3N5O3/c1-33-9-7-31(8-10-34-2)19-12-23(6-5-17(19)23)32-14-18(30-22(32)15-3-4-15)16-11-20(21(28)29-13-16)35-24(25,26)27/h11,13-15,17,19H,3-10,12H2,1-2H3,(H2,28,29)
InChIKeyDZNBOIJORZEQFX-UHFFFAOYSA-N
XLogP3.78
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.55
LogP ≤ 53.78
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[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 135193466) is 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine is COCCN(CCOC)C1CC2(n3cc(-c4cnc(N)c(OC(F)(F)F)c4)nc3C3CC3)CCC12.
What is the InChIKey of 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is DZNBOIJORZEQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N5O3/c1-33-9-7-31(8-10-34-2)19-12-23(6-5-17(19)23)32-14-18(30-22(32)15-3-4-15)16-11-20(21(28)29-13-16)35-24(25,26)27/h11,13-15,17,19H,3-10,12H2,1-2H3,(H2,28,29).
What are the key properties of 5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
5-[1-[3-[bis(2-methoxyethyl)amino]-1-bicyclo[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 495.55 g/mol, XLogP of 3.78, 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[2.2.0]hexanyl]-2-cyclopropylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 135193466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).