2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol

C23H29Cl2N7O — CID 176979289

IUPAC2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol
SMILESCC(Nc1cc(N2CC(C3CCCN(CCO)C3)C2)nn2cnnc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H29Cl2N7O/c1-15(19-5-4-18(24)9-20(19)25)27-21-10-22(29-32-14-26-28-23(21)32)31-12-17(13-31)16-3-2-6-30(11-16)7-8-33/h4-5,9-10,14-17,27,33H,2-3,6-8,11-13H2,1H3
InChIKeyIFISLFDHBHFTJL-UHFFFAOYSA-N
MW490.44 g/mol
LogP3.74
Rot. Bonds7

About 2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol

2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol (PubChem CID 176979289) has the molecular formula C23H29Cl2N7O and a molecular weight of 490.44 g/mol. Its IUPAC name is 2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol
PubChem CID176979289
Molecular FormulaC23H29Cl2N7O
Molecular Weight490.44 g/mol
Exact Mass489.18
IUPAC Name2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol
SMILESCC(Nc1cc(N2CC(C3CCCN(CCO)C3)C2)nn2cnnc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H29Cl2N7O/c1-15(19-5-4-18(24)9-20(19)25)27-21-10-22(29-32-14-26-28-23(21)32)31-12-17(13-31)16-3-2-6-30(11-16)7-8-33/h4-5,9-10,14-17,27,33H,2-3,6-8,11-13H2,1H3
InChIKeyIFISLFDHBHFTJL-UHFFFAOYSA-N
XLogP3.74
TPSA81.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol 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

2-[3-[1-[7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]oxadiazolo[5,4-b]pyridin-5-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 176979165
2-[3-[1-[6-[1-(2,4-dichlorophenyl)ethylamino]-5-methylpyrazin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 138617230
2-[(3R)-3-[1-[5-chloro-7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-1,3-benzoxazol-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 172596918
3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-5-[3-[1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl]pyrazine-2-carbonitrile
CID 139344096
2-[3-[1-[4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 139344103
2-[(3R)-3-[1-[4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 139344098
2-[3-[1-[4-[1-(2,4-dichlorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 138617170
2-[(3R)-3-[1-[6-chloro-7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-1-methylindol-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 172596880
2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-iodopyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 172562520
2-[(3R)-3-[1-[6-chloro-7-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-5-methyl-1,3-benzoxazol-2-yl]azetidin-3-yl]piperidin-1-yl]ethanol
CID 172596941
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-6-[3-[1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carboxamide
CID 134210754
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-6-[3-[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]azetidin-1-yl]pyrazolo[3,4-b]pyrazine-3-carbonitrile
CID 134225255

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol (CID 176979289) is 2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol is CC(Nc1cc(N2CC(C3CCCN(CCO)C3)C2)nn2cnnc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol?
The InChIKey is IFISLFDHBHFTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N7O/c1-15(19-5-4-18(24)9-20(19)25)27-21-10-22(29-32-14-26-28-23(21)32)31-12-17(13-31)16-3-2-6-30(11-16)7-8-33/h4-5,9-10,14-17,27,33H,2-3,6-8,11-13H2,1H3.
What are the key properties of 2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol?
2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol has a molecular weight of 490.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[8-[1-(2,4-dichlorophenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 176979289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).