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

C26H22F3N5 — CID 3193472

IUPAC4-(4-fluorophenyl)-1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine
SMILESFc1ccc(Cn2nnnc2C(c2ccc(F)cc2)N2CC=C(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H22F3N5/c27-22-7-1-18(2-8-22)17-34-26(30-31-32-34)25(21-5-11-24(29)12-6-21)33-15-13-20(14-16-33)19-3-9-23(28)10-4-19/h1-13,25H,14-17H2
InChIKeyJNHCHGLCARFEEX-UHFFFAOYSA-N
MW461.49 g/mol
LogP5.02
Rot. Bonds6

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

4-(4-fluorophenyl)-1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine (PubChem CID 3193472) has the molecular formula C26H22F3N5 and a molecular weight of 461.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine
PubChem CID3193472
Molecular FormulaC26H22F3N5
Molecular Weight461.49 g/mol
Exact Mass461.18
IUPAC Name4-(4-fluorophenyl)-1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine
SMILESFc1ccc(Cn2nnnc2C(c2ccc(F)cc2)N2CC=C(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H22F3N5/c27-22-7-1-18(2-8-22)17-34-26(30-31-32-34)25(21-5-11-24(29)12-6-21)33-15-13-20(14-16-33)19-3-9-23(28)10-4-19/h1-13,25H,14-17H2
InChIKeyJNHCHGLCARFEEX-UHFFFAOYSA-N
XLogP5.02
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.49
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(4-fluorophenyl)-1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine (CID 3193472) is 4-(4-fluorophenyl)-1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine is Fc1ccc(Cn2nnnc2C(c2ccc(F)cc2)N2CC=C(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is JNHCHGLCARFEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5/c27-22-7-1-18(2-8-22)17-34-26(30-31-32-34)25(21-5-11-24(29)12-6-21)33-15-13-20(14-16-33)19-3-9-23(28)10-4-19/h1-13,25H,14-17H2.
What are the key properties of 4-(4-fluorophenyl)-1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine?
4-(4-fluorophenyl)-1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 461.49 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 3193472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).