benzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate

C46H64FN7O4Si — CID 165136498

IUPACbenzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate
SMILESCC1(Oc2ccc3c(c2)c(-c2ccnc(N4CCC(CN5CCC(F)(CN6CCN(C(=O)OCc7ccccc7)CC6)CC5)CC4)c2)nn3COCC[Si](C)(C)C)CC1
InChIInChI=1S/C46H64FN7O4Si/c1-45(15-16-45)58-39-10-11-41-40(31-39)43(49-54(41)35-56-28-29-59(2,3)4)38-12-19-48-42(30-38)52-20-13-36(14-21-52)32-50-22-17-46(47,18-23-50)34-51-24-26-53(27-25-51)44(55)57-33-37-8-6-5-7-9-37/h5-12,19,30-31,36H,13-18,20-29,32-35H2,1-4H3
InChIKeyAYVGLSJOHQVHPV-UHFFFAOYSA-N
MW826.15 g/mol
LogP8.32
Rot. Bonds15

About benzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate

benzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate (PubChem CID 165136498) has the molecular formula C46H64FN7O4Si and a molecular weight of 826.15 g/mol. Its IUPAC name is benzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate
PubChem CID165136498
Molecular FormulaC46H64FN7O4Si
Molecular Weight826.15 g/mol
Exact Mass825.48
IUPAC Namebenzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate
SMILESCC1(Oc2ccc3c(c2)c(-c2ccnc(N4CCC(CN5CCC(F)(CN6CCN(C(=O)OCc7ccccc7)CC6)CC5)CC4)c2)nn3COCC[Si](C)(C)C)CC1
InChIInChI=1S/C46H64FN7O4Si/c1-45(15-16-45)58-39-10-11-41-40(31-39)43(49-54(41)35-56-28-29-59(2,3)4)38-12-19-48-42(30-38)52-20-13-36(14-21-52)32-50-22-17-46(47,18-23-50)34-51-24-26-53(27-25-51)44(55)57-33-37-8-6-5-7-9-37/h5-12,19,30-31,36H,13-18,20-29,32-35H2,1-4H3
InChIKeyAYVGLSJOHQVHPV-UHFFFAOYSA-N
XLogP8.32
TPSA88.43 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.15
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze benzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of benzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate (CID 165136498) is benzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate is CC1(Oc2ccc3c(c2)c(-c2ccnc(N4CCC(CN5CCC(F)(CN6CCN(C(=O)OCc7ccccc7)CC6)CC5)CC4)c2)nn3COCC[Si](C)(C)C)CC1.
What is the InChIKey of benzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate?
The InChIKey is AYVGLSJOHQVHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H64FN7O4Si/c1-45(15-16-45)58-39-10-11-41-40(31-39)43(49-54(41)35-56-28-29-59(2,3)4)38-12-19-48-42(30-38)52-20-13-36(14-21-52)32-50-22-17-46(47,18-23-50)34-51-24-26-53(27-25-51)44(55)57-33-37-8-6-5-7-9-37/h5-12,19,30-31,36H,13-18,20-29,32-35H2,1-4H3.
What are the key properties of benzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate?
benzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate has a molecular weight of 826.15 g/mol, XLogP of 8.32, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[4-fluoro-1-[[1-[4-[5-(1-methylcyclopropyl)oxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-pyridinyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 165136498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).