1-(4-fluorophenyl)-3-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(trifluoromethyl)indole

C26H24F4N4 — CID 19753559

IUPAC1-(4-fluorophenyl)-3-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(trifluoromethyl)indole
SMILESCc1nccn1CCN1CC=C(c2cn(-c3ccc(F)cc3)c3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C26H24F4N4/c1-18-31-10-13-33(18)15-14-32-11-8-19(9-12-32)24-17-34(22-5-3-21(27)4-6-22)25-7-2-20(16-23(24)25)26(28,29)30/h2-8,10,13,16-17H,9,11-12,14-15H2,1H3
InChIKeyCKGLKMMHWXULBX-UHFFFAOYSA-N
MW468.50 g/mol
LogP6.08
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(trifluoromethyl)indole

1-(4-fluorophenyl)-3-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(trifluoromethyl)indole (PubChem CID 19753559) has the molecular formula C26H24F4N4 and a molecular weight of 468.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(trifluoromethyl)indole
PubChem CID19753559
Molecular FormulaC26H24F4N4
Molecular Weight468.50 g/mol
Exact Mass468.19
IUPAC Name1-(4-fluorophenyl)-3-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(trifluoromethyl)indole
SMILESCc1nccn1CCN1CC=C(c2cn(-c3ccc(F)cc3)c3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C26H24F4N4/c1-18-31-10-13-33(18)15-14-32-11-8-19(9-12-32)24-17-34(22-5-3-21(27)4-6-22)25-7-2-20(16-23(24)25)26(28,29)30/h2-8,10,13,16-17H,9,11-12,14-15H2,1H3
InChIKeyCKGLKMMHWXULBX-UHFFFAOYSA-N
XLogP6.08
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.50
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(trifluoromethyl)indole?
The IUPAC name of 1-(4-fluorophenyl)-3-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(trifluoromethyl)indole (CID 19753559) is 1-(4-fluorophenyl)-3-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(trifluoromethyl)indole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(trifluoromethyl)indole?
The canonical SMILES for 1-(4-fluorophenyl)-3-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(trifluoromethyl)indole is Cc1nccn1CCN1CC=C(c2cn(-c3ccc(F)cc3)c3ccc(C(F)(F)F)cc23)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(trifluoromethyl)indole?
The InChIKey is CKGLKMMHWXULBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N4/c1-18-31-10-13-33(18)15-14-32-11-8-19(9-12-32)24-17-34(22-5-3-21(27)4-6-22)25-7-2-20(16-23(24)25)26(28,29)30/h2-8,10,13,16-17H,9,11-12,14-15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(trifluoromethyl)indole?
1-(4-fluorophenyl)-3-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(trifluoromethyl)indole has a molecular weight of 468.50 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[1-[2-(2-methylimidazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(trifluoromethyl)indole is sourced from PubChem (CID 19753559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).