1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine

C44H40FN13O2 — CID 123142615

IUPAC1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
SMILESCOc1cc(N(c2nc3c(-c4ccc(F)cc4)cccn3n2)N(c2ccc(-n3cnc(C)c3)c(OC)c2)c2nc3cccc(N4CCCC4)n3n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C44H40FN13O2/c1-29-25-53(27-46-29)36-18-16-33(23-38(36)59-3)57(43-48-40-10-7-11-41(56(40)51-43)52-20-5-6-21-52)58(34-17-19-37(39(24-34)60-4)54-26-30(2)47-28-54)44-49-42-35(9-8-22-55(42)50-44)31-12-14-32(45)15-13-31/h7-19,22-28H,5-6,20-21H2,1-4H3
InChIKeyYVBBTEDGIRXQHM-UHFFFAOYSA-N
MW801.89 g/mol
LogP8.08
Rot. Bonds11

About 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine

1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine (PubChem CID 123142615) has the molecular formula C44H40FN13O2 and a molecular weight of 801.89 g/mol. Its IUPAC name is 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine.

Molecular Properties

Compound Name1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
PubChem CID123142615
Molecular FormulaC44H40FN13O2
Molecular Weight801.89 g/mol
Exact Mass801.34
IUPAC Name1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
SMILESCOc1cc(N(c2nc3c(-c4ccc(F)cc4)cccn3n2)N(c2ccc(-n3cnc(C)c3)c(OC)c2)c2nc3cccc(N4CCCC4)n3n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C44H40FN13O2/c1-29-25-53(27-46-29)36-18-16-33(23-38(36)59-3)57(43-48-40-10-7-11-41(56(40)51-43)52-20-5-6-21-52)58(34-17-19-37(39(24-34)60-4)54-26-30(2)47-28-54)44-49-42-35(9-8-22-55(42)50-44)31-12-14-32(45)15-13-31/h7-19,22-28H,5-6,20-21H2,1-4H3
InChIKeyYVBBTEDGIRXQHM-UHFFFAOYSA-N
XLogP8.08
TPSA124.20 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500801.89
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[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

Related Compounds

N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperazin-1-yl]phenyl]-7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 56658177
(8R)-8-(4-fluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 57609154
2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67415170
3-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67415210
2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 71457197
2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methylimidazo[1,2-a]pyridin-8-amine
CID 71451162
WO2022090481, Example I-173
CID 163273431
WO2022090481, Example I-180
CID 164514238
WO2022090481, Example I-221
CID 164514250
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 118717940
US9670202, Example01.10 N-(4-fluorobenzyl)-4-(2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-amino}[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide
CID 86344538
(8S)-8-(4-fluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 25210990

Frequently Asked Questions

What is the IUPAC name of 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine?
The IUPAC name of 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine (CID 123142615) is 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine.
What is the SMILES notation for 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine?
The canonical SMILES for 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine is COc1cc(N(c2nc3c(-c4ccc(F)cc4)cccn3n2)N(c2ccc(-n3cnc(C)c3)c(OC)c2)c2nc3cccc(N4CCCC4)n3n2)ccc1-n1cnc(C)c1.
What is the InChIKey of 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine?
The InChIKey is YVBBTEDGIRXQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40FN13O2/c1-29-25-53(27-46-29)36-18-16-33(23-38(36)59-3)57(43-48-40-10-7-11-41(56(40)51-43)52-20-5-6-21-52)58(34-17-19-37(39(24-34)60-4)54-26-30(2)47-28-54)44-49-42-35(9-8-22-55(42)50-44)31-12-14-32(45)15-13-31/h7-19,22-28H,5-6,20-21H2,1-4H3.
What are the key properties of 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine?
1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine has a molecular weight of 801.89 g/mol, XLogP of 8.08, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine is sourced from PubChem (CID 123142615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).