sodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane

C74H114IN14NaO16S2Si4 — CID 159051695

IUPACsodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane
SMILESCOCCOC1(C(=O)O)CCC(c2nc3c(-c4ccc(-c5ncc[nH]5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2I)CC1.COCCOC1(C(=O)O)CCC(c2nc3c(-c4ccc(-c5ncc[nH]5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2S(C)(=O)=O)CC1.C[S-](=O)=O.[Na+]
InChIInChI=1S/C37H57N7O8SSi2.C36H54IN7O6Si2.CH3O2S.Na/c1-49-17-18-52-37(36(45)46)13-11-27(12-14-37)31-32(53(2,47)48)35(43(25-50-19-21-54(3,4)5)26-51-20-22-55(6,7)8)44-34(42-31)29(24-41-44)28-9-10-30(40-23-28)33-38-15-16-39-33;1-47-16-17-50-36(35(45)46)12-10-26(11-13-36)31-30(37)34(43(24-48-18-20-51(2,3)4)25-49-19-21-52(5,6)7)44-33(42-31)28(23-41-44)27-8-9-29(40-22-27)32-38-14-15-39-32;1-4(2)3;/h9-10,15-16,23-24,27H,11-14,17-22,25-26H2,1-8H3,(H,38,39)(H,45,46);8-9,14-15,22-23,26H,10-13,16-21,24-25H2,1-7H3,(H,38,39)(H,45,46);1H3;/q;;-1;+1
InChIKeyPFXPXAGNJPDRAQ-UHFFFAOYSA-N
MW1782.18 g/mol
LogP10.45
Rot. Bonds39

About sodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane

sodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane (PubChem CID 159051695) has the molecular formula C74H114IN14NaO16S2Si4 and a molecular weight of 1782.18 g/mol. Its IUPAC name is sodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane.

Molecular Properties

Compound Namesodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane
PubChem CID159051695
Molecular FormulaC74H114IN14NaO16S2Si4
Molecular Weight1782.18 g/mol
Exact Mass1780.60
IUPAC Namesodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane
SMILESCOCCOC1(C(=O)O)CCC(c2nc3c(-c4ccc(-c5ncc[nH]5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2I)CC1.COCCOC1(C(=O)O)CCC(c2nc3c(-c4ccc(-c5ncc[nH]5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2S(C)(=O)=O)CC1.C[S-](=O)=O.[Na+]
InChIInChI=1S/C37H57N7O8SSi2.C36H54IN7O6Si2.CH3O2S.Na/c1-49-17-18-52-37(36(45)46)13-11-27(12-14-37)31-32(53(2,47)48)35(43(25-50-19-21-54(3,4)5)26-51-20-22-55(6,7)8)44-34(42-31)29(24-41-44)28-9-10-30(40-23-28)33-38-15-16-39-33;1-47-16-17-50-36(35(45)46)12-10-26(11-13-36)31-30(37)34(43(24-48-18-20-51(2,3)4)25-49-19-21-52(5,6)7)44-33(42-31)28(23-41-44)27-8-9-29(40-22-27)32-38-14-15-39-32;1-4(2)3;/h9-10,15-16,23-24,27H,11-14,17-22,25-26H2,1-8H3,(H,38,39)(H,45,46);8-9,14-15,22-23,26H,10-13,16-21,24-25H2,1-7H3,(H,38,39)(H,45,46);1H3;/q;;-1;+1
InChIKeyPFXPXAGNJPDRAQ-UHFFFAOYSA-N
XLogP10.45
TPSA366.72 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds39
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001782.18
LogP ≤ 510.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze sodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane 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-[7-amino-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid
CID 56849128
4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-iodo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-formyl-1-(2-methoxyethoxy)cyclohexane-1-carboxamide;hydrazine;5-[4-(2-methoxyethoxy)-4-(1H-1,2,4-triazol-5-yl)cyclohexyl]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 161407441
2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-oxoacetic acid
CID 67494456
tert-butyl (1R,5S)-3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67295068
5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-6-methyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128260
2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
CID 87421796
4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid
CID 66583731
[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol;[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol
CID 158661436
[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanol
CID 71128266
bis(ethyl 4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylcyclohexane-1-carboxylate);ethyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylcyclohexane-1-carboxylate
CID 162262140
4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(2-ethoxyethenyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid
CID 123940085
4-[7-amino-3-[1-(4-fluorophenyl)pyrazol-4-yl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid
CID 56849127

Frequently Asked Questions

What is the IUPAC name of sodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane?
The IUPAC name of sodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane (CID 159051695) is sodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane.
What is the SMILES notation for sodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane?
The canonical SMILES for sodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane is COCCOC1(C(=O)O)CCC(c2nc3c(-c4ccc(-c5ncc[nH]5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2I)CC1.COCCOC1(C(=O)O)CCC(c2nc3c(-c4ccc(-c5ncc[nH]5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2S(C)(=O)=O)CC1.C[S-](=O)=O.[Na+].
What is the InChIKey of sodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane?
The InChIKey is PFXPXAGNJPDRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H57N7O8SSi2.C36H54IN7O6Si2.CH3O2S.Na/c1-49-17-18-52-37(36(45)46)13-11-27(12-14-37)31-32(53(2,47)48)35(43(25-50-19-21-54(3,4)5)26-51-20-22-55(6,7)8)44-34(42-31)29(24-41-44)28-9-10-30(40-23-28)33-38-15-16-39-33;1-47-16-17-50-36(35(45)46)12-10-26(11-13-36)31-30(37)34(43(24-48-18-20-51(2,3)4)25-49-19-21-52(5,6)7)44-33(42-31)28(23-41-44)27-8-9-29(40-22-27)32-38-14-15-39-32;1-4(2)3;/h9-10,15-16,23-24,27H,11-14,17-22,25-26H2,1-8H3,(H,38,39)(H,45,46);8-9,14-15,22-23,26H,10-13,16-21,24-25H2,1-7H3,(H,38,39)(H,45,46);1H3;/q;;-1;+1.
What are the key properties of sodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane?
sodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane has a molecular weight of 1782.18 g/mol, XLogP of 10.45, 39 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-iodopyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(1H-imidazol-2-yl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-5-yl]-1-(2-methoxyethoxy)cyclohexane-1-carboxylic acid;sulfinatomethane is sourced from PubChem (CID 159051695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).