1,2-bis[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-bis[8-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine

C48H46F6N14O4S2 — CID 87416629

IUPAC1,2-bis[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-bis[8-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
SMILESCN1CCN(c2ccc(N(c3nc4c(-c5ccc(S(C)(=O)=O)cc5)cc(C(F)(F)F)cn4n3)N(c3ccc(N4CCN(C)CC4)nc3)c3nc4c(-c5ccc(S(C)(=O)=O)cc5)cc(C(F)(F)F)cn4n3)cn2)CC1
InChIInChI=1S/C48H46F6N14O4S2/c1-61-17-21-63(22-18-61)41-15-9-35(27-55-41)67(45-57-43-39(25-33(47(49,50)51)29-65(43)59-45)31-5-11-37(12-6-31)73(3,69)70)68(36-10-16-42(56-28-36)64-23-19-62(2)20-24-64)46-58-44-40(26-34(48(52,53)54)30-66(44)60-46)32-7-13-38(14-8-32)74(4,71)72/h5-16,25-30H,17-24H2,1-4H3
InChIKeyBAZTXBHLUHJVTM-UHFFFAOYSA-N
MW1061.11 g/mol
LogP7.14
Rot. Bonds11

About 1,2-bis[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-bis[8-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine

1,2-bis[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-bis[8-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine (PubChem CID 87416629) has the molecular formula C48H46F6N14O4S2 and a molecular weight of 1061.11 g/mol. Its IUPAC name is 1,2-bis[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-bis[8-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine.

Molecular Properties

Compound Name1,2-bis[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-bis[8-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
PubChem CID87416629
Molecular FormulaC48H46F6N14O4S2
Molecular Weight1061.11 g/mol
Exact Mass1060.32
IUPAC Name1,2-bis[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-bis[8-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
SMILESCN1CCN(c2ccc(N(c3nc4c(-c5ccc(S(C)(=O)=O)cc5)cc(C(F)(F)F)cn4n3)N(c3ccc(N4CCN(C)CC4)nc3)c3nc4c(-c5ccc(S(C)(=O)=O)cc5)cc(C(F)(F)F)cn4n3)cn2)CC1
InChIInChI=1S/C48H46F6N14O4S2/c1-61-17-21-63(22-18-61)41-15-9-35(27-55-41)67(45-57-43-39(25-33(47(49,50)51)29-65(43)59-45)31-5-11-37(12-6-31)73(3,69)70)68(36-10-16-42(56-28-36)64-23-19-62(2)20-24-64)46-58-44-40(26-34(48(52,53)54)30-66(44)60-46)32-7-13-38(14-8-32)74(4,71)72/h5-16,25-30H,17-24H2,1-4H3
InChIKeyBAZTXBHLUHJVTM-UHFFFAOYSA-N
XLogP7.14
TPSA173.88 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001061.11
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 1,2-bis[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-bis[8-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-[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 1,2-bis[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-bis[8-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine?
The IUPAC name of 1,2-bis[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-bis[8-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine (CID 87416629) is 1,2-bis[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-bis[8-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine.
What is the SMILES notation for 1,2-bis[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-bis[8-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine?
The canonical SMILES for 1,2-bis[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-bis[8-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine is CN1CCN(c2ccc(N(c3nc4c(-c5ccc(S(C)(=O)=O)cc5)cc(C(F)(F)F)cn4n3)N(c3ccc(N4CCN(C)CC4)nc3)c3nc4c(-c5ccc(S(C)(=O)=O)cc5)cc(C(F)(F)F)cn4n3)cn2)CC1.
What is the InChIKey of 1,2-bis[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-bis[8-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine?
The InChIKey is BAZTXBHLUHJVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46F6N14O4S2/c1-61-17-21-63(22-18-61)41-15-9-35(27-55-41)67(45-57-43-39(25-33(47(49,50)51)29-65(43)59-45)31-5-11-37(12-6-31)73(3,69)70)68(36-10-16-42(56-28-36)64-23-19-62(2)20-24-64)46-58-44-40(26-34(48(52,53)54)30-66(44)60-46)32-7-13-38(14-8-32)74(4,71)72/h5-16,25-30H,17-24H2,1-4H3.
What are the key properties of 1,2-bis[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-bis[8-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine?
1,2-bis[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-bis[8-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine has a molecular weight of 1061.11 g/mol, XLogP of 7.14, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2-bis[8-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine is sourced from PubChem (CID 87416629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).