5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole

C36H28F2N12O2S2 — CID 90029387

IUPAC5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
SMILESCOc1ccc(Cn2nnc(-c3cnn(-c4ccc(F)cc4)c3SSc3c(-c4nnn(Cc5ccc(OC)cc5)n4)cnn3-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C36H28F2N12O2S2/c1-51-29-15-3-23(4-16-29)21-47-43-33(41-45-47)31-19-39-49(27-11-7-25(37)8-12-27)35(31)53-54-36-32(20-40-50(36)28-13-9-26(38)10-14-28)34-42-46-48(44-34)22-24-5-17-30(52-2)18-6-24/h3-20H,21-22H2,1-2H3
InChIKeyNPKFKGGKJRUFGT-UHFFFAOYSA-N
MW762.83 g/mol
LogP6.56
Rot. Bonds13

About 5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole

5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole (PubChem CID 90029387) has the molecular formula C36H28F2N12O2S2 and a molecular weight of 762.83 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
PubChem CID90029387
Molecular FormulaC36H28F2N12O2S2
Molecular Weight762.83 g/mol
Exact Mass762.19
IUPAC Name5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
SMILESCOc1ccc(Cn2nnc(-c3cnn(-c4ccc(F)cc4)c3SSc3c(-c4nnn(Cc5ccc(OC)cc5)n4)cnn3-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C36H28F2N12O2S2/c1-51-29-15-3-23(4-16-29)21-47-43-33(41-45-47)31-19-39-49(27-11-7-25(37)8-12-27)35(31)53-54-36-32(20-40-50(36)28-13-9-26(38)10-14-28)34-42-46-48(44-34)22-24-5-17-30(52-2)18-6-24/h3-20H,21-22H2,1-2H3
InChIKeyNPKFKGGKJRUFGT-UHFFFAOYSA-N
XLogP6.56
TPSA141.30 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500762.83
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole?
The IUPAC name of 5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole (CID 90029387) is 5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole.
What is the SMILES notation for 5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole?
The canonical SMILES for 5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole is COc1ccc(Cn2nnc(-c3cnn(-c4ccc(F)cc4)c3SSc3c(-c4nnn(Cc5ccc(OC)cc5)n4)cnn3-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole?
The InChIKey is NPKFKGGKJRUFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28F2N12O2S2/c1-51-29-15-3-23(4-16-29)21-47-43-33(41-45-47)31-19-39-49(27-11-7-25(37)8-12-27)35(31)53-54-36-32(20-40-50(36)28-13-9-26(38)10-14-28)34-42-46-48(44-34)22-24-5-17-30(52-2)18-6-24/h3-20H,21-22H2,1-2H3.
What are the key properties of 5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole?
5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole has a molecular weight of 762.83 g/mol, XLogP of 6.56, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)-5-[[1-(4-fluorophenyl)-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyrazol-5-yl]disulfanyl]pyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole is sourced from PubChem (CID 90029387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).