(E)-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-4-methanimidoyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-en-1-ol

C23H23F5N6O — CID 162493792

IUPAC(E)-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-4-methanimidoyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-en-1-ol
SMILES[H]/N=C/c1c(-c2cnc3c(F)cc(F)cn23)nn(CC(F)(F)F)c1/C=C/C(O)N1C2CCCC1CC2
InChIInChI=1S/C23H23F5N6O/c24-13-8-17(25)22-30-10-19(32(22)11-13)21-16(9-29)18(33(31-21)12-23(26,27)28)6-7-20(35)34-14-2-1-3-15(34)5-4-14/h6-11,14-15,20,29,35H,1-5,12H2/b7-6+,29-9+
InChIKeyUAPNWRBAPLOPIE-KZMCGFIOSA-N
MW494.47 g/mol
LogP4.38
Rot. Bonds6

About (E)-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-4-methanimidoyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-en-1-ol

(E)-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-4-methanimidoyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-en-1-ol (PubChem CID 162493792) has the molecular formula C23H23F5N6O and a molecular weight of 494.47 g/mol. Its IUPAC name is (E)-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-4-methanimidoyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-4-methanimidoyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-en-1-ol
PubChem CID162493792
Molecular FormulaC23H23F5N6O
Molecular Weight494.47 g/mol
Exact Mass494.19
IUPAC Name(E)-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-4-methanimidoyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-en-1-ol
SMILES[H]/N=C/c1c(-c2cnc3c(F)cc(F)cn23)nn(CC(F)(F)F)c1/C=C/C(O)N1C2CCCC1CC2
InChIInChI=1S/C23H23F5N6O/c24-13-8-17(25)22-30-10-19(32(22)11-13)21-16(9-29)18(33(31-21)12-23(26,27)28)6-7-20(35)34-14-2-1-3-15(34)5-4-14/h6-11,14-15,20,29,35H,1-5,12H2/b7-6+,29-9+
InChIKeyUAPNWRBAPLOPIE-KZMCGFIOSA-N
XLogP4.38
TPSA82.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-4-methanimidoyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-4-methanimidoyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-en-1-ol?
The IUPAC name of (E)-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-4-methanimidoyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-en-1-ol (CID 162493792) is (E)-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-4-methanimidoyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-4-methanimidoyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-4-methanimidoyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-en-1-ol is [H]/N=C/c1c(-c2cnc3c(F)cc(F)cn23)nn(CC(F)(F)F)c1/C=C/C(O)N1C2CCCC1CC2.
What is the InChIKey of (E)-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-4-methanimidoyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-en-1-ol?
The InChIKey is UAPNWRBAPLOPIE-KZMCGFIOSA-N. The full InChI is InChI=1S/C23H23F5N6O/c24-13-8-17(25)22-30-10-19(32(22)11-13)21-16(9-29)18(33(31-21)12-23(26,27)28)6-7-20(35)34-14-2-1-3-15(34)5-4-14/h6-11,14-15,20,29,35H,1-5,12H2/b7-6+,29-9+.
What are the key properties of (E)-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-4-methanimidoyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-en-1-ol?
(E)-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-4-methanimidoyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-en-1-ol has a molecular weight of 494.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-4-methanimidoyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]prop-2-en-1-ol is sourced from PubChem (CID 162493792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).