1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine

C49H65FN8O6 — CID 91172630

IUPAC1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine
SMILESC=CCOc1cc(CN2CCC(N(c3ccc(N4CCOCC4)nc3)N(c3ccc(N4CCOCC4)nc3)C3CCN(Cc4ccc(OC)c(OCCF)c4)CC3)CC2)ccc1OC
InChIInChI=1S/C49H65FN8O6/c1-4-26-63-46-32-38(5-9-44(46)59-2)36-53-18-13-40(14-19-53)57(42-7-11-48(51-34-42)55-22-28-61-29-23-55)58(43-8-12-49(52-35-43)56-24-30-62-31-25-56)41-15-20-54(21-16-41)37-39-6-10-45(60-3)47(33-39)64-27-17-50/h4-12,32-35,40-41H,1,13-31,36-37H2,2-3H3
InChIKeyGDXZBEIYHOUOCZ-UHFFFAOYSA-N
MW881.11 g/mol
LogP6.64
Rot. Bonds19

About 1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine

1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine (PubChem CID 91172630) has the molecular formula C49H65FN8O6 and a molecular weight of 881.11 g/mol. Its IUPAC name is 1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine.

Molecular Properties

Compound Name1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine
PubChem CID91172630
Molecular FormulaC49H65FN8O6
Molecular Weight881.11 g/mol
Exact Mass880.50
IUPAC Name1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine
SMILESC=CCOc1cc(CN2CCC(N(c3ccc(N4CCOCC4)nc3)N(c3ccc(N4CCOCC4)nc3)C3CCN(Cc4ccc(OC)c(OCCF)c4)CC3)CC2)ccc1OC
InChIInChI=1S/C49H65FN8O6/c1-4-26-63-46-32-38(5-9-44(46)59-2)36-53-18-13-40(14-19-53)57(42-7-11-48(51-34-42)55-22-28-61-29-23-55)58(43-8-12-49(52-35-43)56-24-30-62-31-25-56)41-15-20-54(21-16-41)37-39-6-10-45(60-3)47(33-39)64-27-17-50/h4-12,32-35,40-41H,1,13-31,36-37H2,2-3H3
InChIKeyGDXZBEIYHOUOCZ-UHFFFAOYSA-N
XLogP6.64
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500881.11
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)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

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 168270725
1-[3-(Benzyloxy)-4-methoxybenzyl]-4-(2-pyridinyl)piperazine
CID 1376354
1-{6-[(4-Ethoxy-3-methoxyphenyl)methyl]-5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-2-YL}-4-(pyridin-2-YL)piperazine
CID 16028242
1-(2-Fluorophenyl)-4-(6-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}-5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-2-YL)piperazine
CID 16028346
6-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 16028218
2-(4-{6-[(4-Ethoxy-3-methoxyphenyl)methyl]-5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-2-YL}piperazin-1-YL)pyrimidine
CID 16028273
2-(3,4-Dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine
CID 6482783
6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine
CID 11248578
6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-pyridin-3-ylbutyl)pyrazin-2-amine
CID 11248867
6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine
CID 11352331
6-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine
CID 11408926
6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[1-(5-methyl-3-pyridinyl)butyl]pyrazin-2-amine
CID 11442626

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine?
The IUPAC name of 1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine (CID 91172630) is 1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine.
What is the SMILES notation for 1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine?
The canonical SMILES for 1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine is C=CCOc1cc(CN2CCC(N(c3ccc(N4CCOCC4)nc3)N(c3ccc(N4CCOCC4)nc3)C3CCN(Cc4ccc(OC)c(OCCF)c4)CC3)CC2)ccc1OC.
What is the InChIKey of 1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine?
The InChIKey is GDXZBEIYHOUOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H65FN8O6/c1-4-26-63-46-32-38(5-9-44(46)59-2)36-53-18-13-40(14-19-53)57(42-7-11-48(51-34-42)55-22-28-61-29-23-55)58(43-8-12-49(52-35-43)56-24-30-62-31-25-56)41-15-20-54(21-16-41)37-39-6-10-45(60-3)47(33-39)64-27-17-50/h4-12,32-35,40-41H,1,13-31,36-37H2,2-3H3.
What are the key properties of 1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine?
1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine has a molecular weight of 881.11 g/mol, XLogP of 6.64, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1,2-bis(6-morpholin-4-yl-3-pyridinyl)hydrazine is sourced from PubChem (CID 91172630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).