ethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(4-fluorophenyl)-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

C77H97BF3IN12O4Si2 — CID 159299505

IUPACethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(4-fluorophenyl)-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.CC(C)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccc2nccn2c1.CC(C)c1c(-c2ccc3nccn3c2)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C.CC(C)c1c(I)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C
InChIInChI=1S/C25H31FN4OSi.C19H17FN4.C18H26FIN2OSi.C13H17BN2O2.C2H6/c1-18(2)25-23(20-8-11-22-27-12-13-29(22)16-20)24(19-6-9-21(26)10-7-19)28-30(25)17-31-14-15-32(3,4)5;1-12(2)18-17(14-5-8-16-21-9-10-24(16)11-14)19(23-22-18)13-3-6-15(20)7-4-13;1-13(2)18-16(20)17(14-6-8-15(19)9-7-14)21-22(18)12-23-10-11-24(3,4)5;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;1-2/h6-13,16,18H,14-15,17H2,1-5H3;3-12H,1-2H3,(H,22,23);6-9,13H,10-12H2,1-5H3;5-9H,1-4H3;1-2H3
InChIKeyLBDMZRIKMBPVQP-UHFFFAOYSA-N
MW1505.58 g/mol
LogP19.48
Rot. Bonds19

About ethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(4-fluorophenyl)-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-[[3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(4-fluorophenyl)-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 159299505) has the molecular formula C77H97BF3IN12O4Si2 and a molecular weight of 1505.58 g/mol. Its IUPAC name is ethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(4-fluorophenyl)-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-[[3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(4-fluorophenyl)-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 CID159299505
Molecular FormulaC77H97BF3IN12O4Si2
Molecular Weight1505.58 g/mol
Exact Mass1504.64
IUPAC Nameethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(4-fluorophenyl)-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.CC(C)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccc2nccn2c1.CC(C)c1c(-c2ccc3nccn3c2)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C.CC(C)c1c(I)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C
InChIInChI=1S/C25H31FN4OSi.C19H17FN4.C18H26FIN2OSi.C13H17BN2O2.C2H6/c1-18(2)25-23(20-8-11-22-27-12-13-29(22)16-20)24(19-6-9-21(26)10-7-19)28-30(25)17-31-14-15-32(3,4)5;1-12(2)18-17(14-5-8-16-21-9-10-24(16)11-14)19(23-22-18)13-3-6-15(20)7-4-13;1-13(2)18-16(20)17(14-6-8-15(19)9-7-14)21-22(18)12-23-10-11-24(3,4)5;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;1-2/h6-13,16,18H,14-15,17H2,1-5H3;3-12H,1-2H3,(H,22,23);6-9,13H,10-12H2,1-5H3;5-9H,1-4H3;1-2H3
InChIKeyLBDMZRIKMBPVQP-UHFFFAOYSA-N
XLogP19.48
TPSA153.14 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001505.58
LogP ≤ 519.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

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-[[3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(4-fluorophenyl)-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-[[3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(4-fluorophenyl)-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-[[3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(4-fluorophenyl)-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 159299505) is ethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(4-fluorophenyl)-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-[[3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(4-fluorophenyl)-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-[[3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(4-fluorophenyl)-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.CC(C)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccc2nccn2c1.CC(C)c1c(-c2ccc3nccn3c2)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C.CC(C)c1c(I)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C.
What is the InChIKey of ethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(4-fluorophenyl)-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 LBDMZRIKMBPVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4OSi.C19H17FN4.C18H26FIN2OSi.C13H17BN2O2.C2H6/c1-18(2)25-23(20-8-11-22-27-12-13-29(22)16-20)24(19-6-9-21(26)10-7-19)28-30(25)17-31-14-15-32(3,4)5;1-12(2)18-17(14-5-8-16-21-9-10-24(16)11-14)19(23-22-18)13-3-6-15(20)7-4-13;1-13(2)18-16(20)17(14-6-8-15(19)9-7-14)21-22(18)12-23-10-11-24(3,4)5;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;1-2/h6-13,16,18H,14-15,17H2,1-5H3;3-12H,1-2H3,(H,22,23);6-9,13H,10-12H2,1-5H3;5-9H,1-4H3;1-2H3.
What are the key properties of ethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(4-fluorophenyl)-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-[[3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(4-fluorophenyl)-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 1505.58 g/mol, XLogP of 19.48, 19 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-a]pyridin-6-yl-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[3-(4-fluorophenyl)-4-iodo-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[3-(4-fluorophenyl)-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 159299505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).