2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-benzyl-N,N-dimethyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine

C65H100N12O14S — CID 159006469

IUPAC2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-benzyl-N,N-dimethyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine
SMILESCN(C)c1c(-c2ccnc(NC3CCC(OCCOCCOCCOCCOCCO)CC3)n2)cnn1Cc1ccccc1.CN(C)c1c(-c2ccnc(S(C)(=O)=O)n2)cnn1Cc1ccccc1.NC1CCC(OCCOCCOCCOCCOCCO)CC1
InChIInChI=1S/C32H48N6O6.C17H19N5O2S.C16H33NO6/c1-37(2)31-29(24-34-38(31)25-26-6-4-3-5-7-26)30-12-13-33-32(36-30)35-27-8-10-28(11-9-27)44-23-22-43-21-20-42-19-18-41-17-16-40-15-14-39;1-21(2)16-14(15-9-10-18-17(20-15)25(3,23)24)11-19-22(16)12-13-7-5-4-6-8-13;17-15-1-3-16(4-2-15)23-14-13-22-12-11-21-10-9-20-8-7-19-6-5-18/h3-7,12-13,24,27-28,39H,8-11,14-23,25H2,1-2H3,(H,33,35,36);4-11H,12H2,1-3H3;15-16,18H,1-14,17H2
InChIKeyJRZCHBHUPDBJOE-UHFFFAOYSA-N
MW1305.65 g/mol
LogP5.44
Rot. Bonds41

About 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-benzyl-N,N-dimethyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine

2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-benzyl-N,N-dimethyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine (PubChem CID 159006469) has the molecular formula C65H100N12O14S and a molecular weight of 1305.65 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-benzyl-N,N-dimethyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-benzyl-N,N-dimethyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine
PubChem CID159006469
Molecular FormulaC65H100N12O14S
Molecular Weight1305.65 g/mol
Exact Mass1304.72
IUPAC Name2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-benzyl-N,N-dimethyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine
SMILESCN(C)c1c(-c2ccnc(NC3CCC(OCCOCCOCCOCCOCCO)CC3)n2)cnn1Cc1ccccc1.CN(C)c1c(-c2ccnc(S(C)(=O)=O)n2)cnn1Cc1ccccc1.NC1CCC(OCCOCCOCCOCCOCCO)CC1
InChIInChI=1S/C32H48N6O6.C17H19N5O2S.C16H33NO6/c1-37(2)31-29(24-34-38(31)25-26-6-4-3-5-7-26)30-12-13-33-32(36-30)35-27-8-10-28(11-9-27)44-23-22-43-21-20-42-19-18-41-17-16-40-15-14-39;1-21(2)16-14(15-9-10-18-17(20-15)25(3,23)24)11-19-22(16)12-13-7-5-4-6-8-13;17-15-1-3-16(4-2-15)23-14-13-22-12-11-21-10-9-20-8-7-19-6-5-18/h3-7,12-13,24,27-28,39H,8-11,14-23,25H2,1-2H3,(H,33,35,36);4-11H,12H2,1-3H3;15-16,18H,1-14,17H2
InChIKeyJRZCHBHUPDBJOE-UHFFFAOYSA-N
XLogP5.44
TPSA298.63 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds41
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001305.65
LogP ≤ 55.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-benzyl-N,N-dimethyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine 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 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-benzyl-N,N-dimethyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine?
The IUPAC name of 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-benzyl-N,N-dimethyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine (CID 159006469) is 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-benzyl-N,N-dimethyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine.
What is the SMILES notation for 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-benzyl-N,N-dimethyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine?
The canonical SMILES for 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-benzyl-N,N-dimethyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine is CN(C)c1c(-c2ccnc(NC3CCC(OCCOCCOCCOCCOCCO)CC3)n2)cnn1Cc1ccccc1.CN(C)c1c(-c2ccnc(S(C)(=O)=O)n2)cnn1Cc1ccccc1.NC1CCC(OCCOCCOCCOCCOCCO)CC1.
What is the InChIKey of 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-benzyl-N,N-dimethyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine?
The InChIKey is JRZCHBHUPDBJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N6O6.C17H19N5O2S.C16H33NO6/c1-37(2)31-29(24-34-38(31)25-26-6-4-3-5-7-26)30-12-13-33-32(36-30)35-27-8-10-28(11-9-27)44-23-22-43-21-20-42-19-18-41-17-16-40-15-14-39;1-21(2)16-14(15-9-10-18-17(20-15)25(3,23)24)11-19-22(16)12-13-7-5-4-6-8-13;17-15-1-3-16(4-2-15)23-14-13-22-12-11-21-10-9-20-8-7-19-6-5-18/h3-7,12-13,24,27-28,39H,8-11,14-23,25H2,1-2H3,(H,33,35,36);4-11H,12H2,1-3H3;15-16,18H,1-14,17H2.
What are the key properties of 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-benzyl-N,N-dimethyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine?
2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-benzyl-N,N-dimethyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine has a molecular weight of 1305.65 g/mol, XLogP of 5.44, 41 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-benzyl-N,N-dimethyl-4-(2-methylsulfonylpyrimidin-4-yl)pyrazol-5-amine is sourced from PubChem (CID 159006469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).