ethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(6-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

C77H103BIN15O4Si2 — CID 159051651

IUPACethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(6-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
SMILESCC.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C.Cc1cccc(-c2n[nH]c(C(C)C)c2-c2ccc3nccn3c2)n1.Cc1cccc(-c2nn(COCC[Si](C)(C)C)c(C(C)C)c2-c2ccc3nccn3c2)n1.Cc1cccc(-c2nn(COCC[Si](C)(C)C)c(C(C)C)c2I)n1
InChIInChI=1S/C25H33N5OSi.C19H19N5.C18H28IN3OSi.C13H17BN2O2.C2H6/c1-18(2)25-23(20-10-11-22-26-12-13-29(22)16-20)24(21-9-7-8-19(3)27-21)28-30(25)17-31-14-15-32(4,5)6;1-12(2)18-17(14-7-8-16-20-9-10-24(16)11-14)19(23-22-18)15-6-4-5-13(3)21-15;1-13(2)18-16(19)17(15-9-7-8-14(3)20-15)21-22(18)12-23-10-11-24(4,5)6;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;1-2/h7-13,16,18H,14-15,17H2,1-6H3;4-12H,1-3H3,(H,22,23);7-9,13H,10-12H2,1-6H3;5-9H,1-4H3;1-2H3
InChIKeyJXILQBUYSDXOAE-UHFFFAOYSA-N
MW1496.66 g/mol
LogP18.18
Rot. Bonds19

About ethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(6-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine

ethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(6-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (PubChem CID 159051651) has the molecular formula C77H103BIN15O4Si2 and a molecular weight of 1496.66 g/mol. Its IUPAC name is ethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(6-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Nameethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(6-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
PubChem CID159051651
Molecular FormulaC77H103BIN15O4Si2
Molecular Weight1496.66 g/mol
Exact Mass1495.70
IUPAC Nameethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(6-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
SMILESCC.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C.Cc1cccc(-c2n[nH]c(C(C)C)c2-c2ccc3nccn3c2)n1.Cc1cccc(-c2nn(COCC[Si](C)(C)C)c(C(C)C)c2-c2ccc3nccn3c2)n1.Cc1cccc(-c2nn(COCC[Si](C)(C)C)c(C(C)C)c2I)n1
InChIInChI=1S/C25H33N5OSi.C19H19N5.C18H28IN3OSi.C13H17BN2O2.C2H6/c1-18(2)25-23(20-10-11-22-26-12-13-29(22)16-20)24(21-9-7-8-19(3)27-21)28-30(25)17-31-14-15-32(4,5)6;1-12(2)18-17(14-7-8-16-20-9-10-24(16)11-14)19(23-22-18)15-6-4-5-13(3)21-15;1-13(2)18-16(19)17(15-9-7-8-14(3)20-15)21-22(18)12-23-10-11-24(4,5)6;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;1-2/h7-13,16,18H,14-15,17H2,1-6H3;4-12H,1-3H3,(H,22,23);7-9,13H,10-12H2,1-6H3;5-9H,1-4H3;1-2H3
InChIKeyJXILQBUYSDXOAE-UHFFFAOYSA-N
XLogP18.18
TPSA191.81 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms100
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001496.66
LogP ≤ 518.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze ethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(6-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(6-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The IUPAC name of ethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(6-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine (CID 159051651) is ethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(6-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for ethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(6-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for ethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(6-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is CC.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C.Cc1cccc(-c2n[nH]c(C(C)C)c2-c2ccc3nccn3c2)n1.Cc1cccc(-c2nn(COCC[Si](C)(C)C)c(C(C)C)c2-c2ccc3nccn3c2)n1.Cc1cccc(-c2nn(COCC[Si](C)(C)C)c(C(C)C)c2I)n1.
What is the InChIKey of ethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(6-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
The InChIKey is JXILQBUYSDXOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5OSi.C19H19N5.C18H28IN3OSi.C13H17BN2O2.C2H6/c1-18(2)25-23(20-10-11-22-26-12-13-29(22)16-20)24(21-9-7-8-19(3)27-21)28-30(25)17-31-14-15-32(4,5)6;1-12(2)18-17(14-7-8-16-20-9-10-24(16)11-14)19(23-22-18)15-6-4-5-13(3)21-15;1-13(2)18-16(19)17(15-9-7-8-14(3)20-15)21-22(18)12-23-10-11-24(4,5)6;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;1-2/h7-13,16,18H,14-15,17H2,1-6H3;4-12H,1-3H3,(H,22,23);7-9,13H,10-12H2,1-6H3;5-9H,1-4H3;1-2H3.
What are the key properties of ethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(6-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine?
ethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(6-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 1496.66 g/mol, XLogP of 18.18, 19 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-iodo-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(6-methyl-2-pyridinyl)-5-propan-2-yl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 159051651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).