1-[(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine

C26H22ClF2N5 — CID 3193475

IUPAC1-[(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESFc1ccc(Cn2nnnc2C(c2ccc(Cl)cc2)N2CC=C(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H22ClF2N5/c27-22-7-3-21(4-8-22)25(26-30-31-32-34(26)17-18-1-9-23(28)10-2-18)33-15-13-20(14-16-33)19-5-11-24(29)12-6-19/h1-13,25H,14-17H2
InChIKeyUHPBKULJGNJPLZ-UHFFFAOYSA-N
MW477.95 g/mol
LogP5.53
Rot. Bonds6

About 1-[(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine

1-[(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine (PubChem CID 3193475) has the molecular formula C26H22ClF2N5 and a molecular weight of 477.95 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
PubChem CID3193475
Molecular FormulaC26H22ClF2N5
Molecular Weight477.95 g/mol
Exact Mass477.15
IUPAC Name1-[(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
SMILESFc1ccc(Cn2nnnc2C(c2ccc(Cl)cc2)N2CC=C(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H22ClF2N5/c27-22-7-3-21(4-8-22)25(26-30-31-32-34(26)17-18-1-9-23(28)10-2-18)33-15-13-20(14-16-33)19-5-11-24(29)12-6-19/h1-13,25H,14-17H2
InChIKeyUHPBKULJGNJPLZ-UHFFFAOYSA-N
XLogP5.53
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.95
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-Benzyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-4-(4-fluoro-phenyl)-1,2,3,6-tetrahydro-pyridine
CID 3193465
[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-diethyl-amine
CID 6603118
1-((1-benzyl-1H-tetrazol-5-yl)(3-chlorophenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 49865348
1-((1-benzyl-1H-tetrazol-5-yl)(2-chlorophenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 49865395
1-((1-benzyl-1H-tetrazol-5-yl)(4-chlorophenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 49865488
Benzyl-[(1-tert-butyl-1H-tetrazol-5-yl)-(4-chloro-phenyl)-methyl]-ethyl-amine
CID 3193421
1-[[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-(4-fluoro-phenyl)-methyl]-4-(4-fluoro-phenyl)-1,2,3,6-tetrahydro-pyridine
CID 3193472
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclohexylpiperazine
CID 3209694
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclopentylpiperazine
CID 3209702
1-Cyclohexyl-4-{1-[1-(4-fluoro-benzyl)-1H-tetrazol-5-yl]-butyl}-piperazine
CID 6602546
1-Cyclohexyl-4-{1-[1-(4-fluoro-benzyl)-1H-tetrazol-5-yl]-propyl}-piperazine
CID 6603052
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclobutylpiperazine
CID 49864997

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine (CID 3193475) is 1-[(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine is Fc1ccc(Cn2nnnc2C(c2ccc(Cl)cc2)N2CC=C(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is UHPBKULJGNJPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF2N5/c27-22-7-3-21(4-8-22)25(26-30-31-32-34(26)17-18-1-9-23(28)10-2-18)33-15-13-20(14-16-33)19-5-11-24(29)12-6-19/h1-13,25H,14-17H2.
What are the key properties of 1-[(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine?
1-[(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 477.95 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 3193475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).