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

C16H20FN5O — CID 6486824

IUPAC4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine
SMILESCOCCn1nnnc1CN1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN5O/c1-23-11-10-22-16(18-19-20-22)12-21-8-6-14(7-9-21)13-2-4-15(17)5-3-13/h2-6H,7-12H2,1H3
InChIKeyCPVIGUNLWBLNBX-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.75
Rot. Bonds6

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

4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine (PubChem CID 6486824) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine
PubChem CID6486824
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine
SMILESCOCCn1nnnc1CN1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN5O/c1-23-11-10-22-16(18-19-20-22)12-21-8-6-14(7-9-21)13-2-4-15(17)5-3-13/h2-6H,7-12H2,1H3
InChIKeyCPVIGUNLWBLNBX-UHFFFAOYSA-N
XLogP1.75
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine (CID 6486824) is 4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine is COCCn1nnnc1CN1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is CPVIGUNLWBLNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-23-11-10-22-16(18-19-20-22)12-21-8-6-14(7-9-21)13-2-4-15(17)5-3-13/h2-6H,7-12H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine?
4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 317.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 6486824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).