1-[3-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]-1-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine

C52H57FN12O4S2 — CID 87579512

IUPAC1-[3-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]-1-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cccn3nc(N(c4cccc(N5CCN(C)CC5)c4)N(c4cccc(N5CCN(CCCF)CC5)c4)c4nc5c(-c6ccc(S(C)(=O)=O)cc6)cccn5n4)nc23)cc1
InChIInChI=1S/C52H57FN12O4S2/c1-38(2)71(68,69)46-22-18-40(19-23-46)48-15-8-27-63-50(48)55-52(57-63)64(43-12-5-10-41(36-43)60-32-28-58(3)29-33-60)65(44-13-6-11-42(37-44)61-34-30-59(31-35-61)25-9-24-53)51-54-49-47(14-7-26-62(49)56-51)39-16-20-45(21-17-39)70(4,66)67/h5-8,10-23,26-27,36-38H,9,24-25,28-35H2,1-4H3
InChIKeyQLKHUOFFPAVOMR-UHFFFAOYSA-N
MW997.24 g/mol
LogP7.82
Rot. Bonds15

About 1-[3-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]-1-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine

1-[3-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]-1-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine (PubChem CID 87579512) has the molecular formula C52H57FN12O4S2 and a molecular weight of 997.24 g/mol. Its IUPAC name is 1-[3-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]-1-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine.

Molecular Properties

Compound Name1-[3-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]-1-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
PubChem CID87579512
Molecular FormulaC52H57FN12O4S2
Molecular Weight997.24 g/mol
Exact Mass996.41
IUPAC Name1-[3-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]-1-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cccn3nc(N(c4cccc(N5CCN(C)CC5)c4)N(c4cccc(N5CCN(CCCF)CC5)c4)c4nc5c(-c6ccc(S(C)(=O)=O)cc6)cccn5n4)nc23)cc1
InChIInChI=1S/C52H57FN12O4S2/c1-38(2)71(68,69)46-22-18-40(19-23-46)48-15-8-27-63-50(48)55-52(57-63)64(43-12-5-10-41(36-43)60-32-28-58(3)29-33-60)65(44-13-6-11-42(37-44)61-34-30-59(31-35-61)25-9-24-53)51-54-49-47(14-7-26-62(49)56-51)39-16-20-45(21-17-39)70(4,66)67/h5-8,10-23,26-27,36-38H,9,24-25,28-35H2,1-4H3
InChIKeyQLKHUOFFPAVOMR-UHFFFAOYSA-N
XLogP7.82
TPSA148.10 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500997.24
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[3-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]-1-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine 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 1-[3-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]-1-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine?
The IUPAC name of 1-[3-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]-1-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine (CID 87579512) is 1-[3-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]-1-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine.
What is the SMILES notation for 1-[3-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]-1-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine?
The canonical SMILES for 1-[3-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]-1-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine is CC(C)S(=O)(=O)c1ccc(-c2cccn3nc(N(c4cccc(N5CCN(C)CC5)c4)N(c4cccc(N5CCN(CCCF)CC5)c4)c4nc5c(-c6ccc(S(C)(=O)=O)cc6)cccn5n4)nc23)cc1.
What is the InChIKey of 1-[3-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]-1-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine?
The InChIKey is QLKHUOFFPAVOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H57FN12O4S2/c1-38(2)71(68,69)46-22-18-40(19-23-46)48-15-8-27-63-50(48)55-52(57-63)64(43-12-5-10-41(36-43)60-32-28-58(3)29-33-60)65(44-13-6-11-42(37-44)61-34-30-59(31-35-61)25-9-24-53)51-54-49-47(14-7-26-62(49)56-51)39-16-20-45(21-17-39)70(4,66)67/h5-8,10-23,26-27,36-38H,9,24-25,28-35H2,1-4H3.
What are the key properties of 1-[3-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]-1-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine?
1-[3-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]-1-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine has a molecular weight of 997.24 g/mol, XLogP of 7.82, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-fluoropropyl)piperazin-1-yl]phenyl]-2-[3-(4-methylpiperazin-1-yl)phenyl]-1-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine is sourced from PubChem (CID 87579512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).