4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]benzoic acid

C23H19FN6O3 — CID 46225473

IUPAC4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]benzoic acid
SMILESCc1cc(-c2nnn(Cc3ccc(C(=O)O)cc3)n2)cc(C(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C23H19FN6O3/c1-14-9-18(11-20(26-14)22(31)25-12-16-3-2-4-19(24)10-16)21-27-29-30(28-21)13-15-5-7-17(8-6-15)23(32)33/h2-11H,12-13H2,1H3,(H,25,31)(H,32,33)
InChIKeyVMSRPNPKVKMUCO-UHFFFAOYSA-N
MW446.44 g/mol
LogP2.86
Rot. Bonds7

About 4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]benzoic acid

4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]benzoic acid (PubChem CID 46225473) has the molecular formula C23H19FN6O3 and a molecular weight of 446.44 g/mol. Its IUPAC name is 4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]benzoic acid
PubChem CID46225473
Molecular FormulaC23H19FN6O3
Molecular Weight446.44 g/mol
Exact Mass446.15
IUPAC Name4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]benzoic acid
SMILESCc1cc(-c2nnn(Cc3ccc(C(=O)O)cc3)n2)cc(C(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C23H19FN6O3/c1-14-9-18(11-20(26-14)22(31)25-12-16-3-2-4-19(24)10-16)21-27-29-30(28-21)13-15-5-7-17(8-6-15)23(32)33/h2-11H,12-13H2,1H3,(H,25,31)(H,32,33)
InChIKeyVMSRPNPKVKMUCO-UHFFFAOYSA-N
XLogP2.86
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

CID 25181615
CID 25181615
CID 46225509
CID 46225509
CID 46225536
CID 46225536
CID 46225537
CID 46225537
CID 46225538
CID 46225538
CID 46225419
CID 46225419
CID 46225476
CID 46225476
CID 25183768
CID 25183768
CID 46225418
CID 46225418
CID 46225437
CID 46225437
CID 46225455
CID 46225455
CID 46225474
CID 46225474

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]benzoic acid?
The IUPAC name of 4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]benzoic acid (CID 46225473) is 4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]benzoic acid is Cc1cc(-c2nnn(Cc3ccc(C(=O)O)cc3)n2)cc(C(=O)NCc2cccc(F)c2)n1.
What is the InChIKey of 4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]benzoic acid?
The InChIKey is VMSRPNPKVKMUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O3/c1-14-9-18(11-20(26-14)22(31)25-12-16-3-2-4-19(24)10-16)21-27-29-30(28-21)13-15-5-7-17(8-6-15)23(32)33/h2-11H,12-13H2,1H3,(H,25,31)(H,32,33).
What are the key properties of 4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]benzoic acid?
4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]benzoic acid has a molecular weight of 446.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-[(3-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]benzoic acid is sourced from PubChem (CID 46225473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).