2-tert-butyl-1H-indole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;4-chloro-1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane

C91H128ClN11O3SSi — CID 161182904

IUPAC2-tert-butyl-1H-indole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;4-chloro-1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane
SMILESCC(C)(C)c1cc2ccccc2[nH]1.CC(C)Cn1cc(C(C)C)cn1.CC(C)c1cc2c(Cl)cccc2n1C.CC(C)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)c1cc2ccc(C#N)cc2n1C.CC(C)c1cnc2c(c1)ncn2COCC[Si](C)(C)C.CCCn1c(C(C)C)cc2ccccc21
InChIInChI=1S/C15H25N3OSi.C15H23NO2S.C14H19N.C13H14N2.C12H14ClN.C12H15N.C10H18N2/c1-12(2)13-8-14-15(16-9-13)18(10-17-14)11-19-6-7-20(3,4)5;1-10(2)13-8-11-9-16(7-6-12(11)19-13)14(17)18-15(3,4)5;1-4-9-15-13-8-6-5-7-12(13)10-14(15)11(2)3;1-9(2)12-7-11-5-4-10(8-14)6-13(11)15(12)3;1-8(2)12-7-9-10(13)5-4-6-11(9)14(12)3;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-8(2)6-12-7-10(5-11-12)9(3)4/h8-10,12H,6-7,11H2,1-5H3;8,10H,6-7,9H2,1-5H3;5-8,10-11H,4,9H2,1-3H3;4-7,9H,1-3H3;4-8H,1-3H3;4-8,13H,1-3H3;5,7-9H,6H2,1-4H3
InChIKeyUSSATUVZMUGITO-UHFFFAOYSA-N
MW1519.70 g/mol
LogP25.46
Rot. Bonds15

About 2-tert-butyl-1H-indole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;4-chloro-1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane

2-tert-butyl-1H-indole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;4-chloro-1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane (PubChem CID 161182904) has the molecular formula C91H128ClN11O3SSi and a molecular weight of 1519.70 g/mol. Its IUPAC name is 2-tert-butyl-1H-indole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;4-chloro-1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane.

Molecular Properties

Compound Name2-tert-butyl-1H-indole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;4-chloro-1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane
PubChem CID161182904
Molecular FormulaC91H128ClN11O3SSi
Molecular Weight1519.70 g/mol
Exact Mass1517.94
IUPAC Name2-tert-butyl-1H-indole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;4-chloro-1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane
SMILESCC(C)(C)c1cc2ccccc2[nH]1.CC(C)Cn1cc(C(C)C)cn1.CC(C)c1cc2c(Cl)cccc2n1C.CC(C)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)c1cc2ccc(C#N)cc2n1C.CC(C)c1cnc2c(c1)ncn2COCC[Si](C)(C)C.CCCn1c(C(C)C)cc2ccccc21
InChIInChI=1S/C15H25N3OSi.C15H23NO2S.C14H19N.C13H14N2.C12H14ClN.C12H15N.C10H18N2/c1-12(2)13-8-14-15(16-9-13)18(10-17-14)11-19-6-7-20(3,4)5;1-10(2)13-8-11-9-16(7-6-12(11)19-13)14(17)18-15(3,4)5;1-4-9-15-13-8-6-5-7-12(13)10-14(15)11(2)3;1-9(2)12-7-11-5-4-10(8-14)6-13(11)15(12)3;1-8(2)12-7-9-10(13)5-4-6-11(9)14(12)3;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-8(2)6-12-7-10(5-11-12)9(3)4/h8-10,12H,6-7,11H2,1-5H3;8,10H,6-7,9H2,1-5H3;5-8,10-11H,4,9H2,1-3H3;4-7,9H,1-3H3;4-8H,1-3H3;4-8,13H,1-3H3;5,7-9H,6H2,1-4H3
InChIKeyUSSATUVZMUGITO-UHFFFAOYSA-N
XLogP25.46
TPSA141.67 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001519.70
LogP ≤ 525.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-1H-indole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;4-chloro-1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-indole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;4-chloro-1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane?
The IUPAC name of 2-tert-butyl-1H-indole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;4-chloro-1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane (CID 161182904) is 2-tert-butyl-1H-indole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;4-chloro-1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane.
What is the SMILES notation for 2-tert-butyl-1H-indole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;4-chloro-1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane?
The canonical SMILES for 2-tert-butyl-1H-indole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;4-chloro-1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane is CC(C)(C)c1cc2ccccc2[nH]1.CC(C)Cn1cc(C(C)C)cn1.CC(C)c1cc2c(Cl)cccc2n1C.CC(C)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2.CC(C)c1cc2ccc(C#N)cc2n1C.CC(C)c1cnc2c(c1)ncn2COCC[Si](C)(C)C.CCCn1c(C(C)C)cc2ccccc21.
What is the InChIKey of 2-tert-butyl-1H-indole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;4-chloro-1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane?
The InChIKey is USSATUVZMUGITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OSi.C15H23NO2S.C14H19N.C13H14N2.C12H14ClN.C12H15N.C10H18N2/c1-12(2)13-8-14-15(16-9-13)18(10-17-14)11-19-6-7-20(3,4)5;1-10(2)13-8-11-9-16(7-6-12(11)19-13)14(17)18-15(3,4)5;1-4-9-15-13-8-6-5-7-12(13)10-14(15)11(2)3;1-9(2)12-7-11-5-4-10(8-14)6-13(11)15(12)3;1-8(2)12-7-9-10(13)5-4-6-11(9)14(12)3;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-8(2)6-12-7-10(5-11-12)9(3)4/h8-10,12H,6-7,11H2,1-5H3;8,10H,6-7,9H2,1-5H3;5-8,10-11H,4,9H2,1-3H3;4-7,9H,1-3H3;4-8H,1-3H3;4-8,13H,1-3H3;5,7-9H,6H2,1-4H3.
What are the key properties of 2-tert-butyl-1H-indole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;4-chloro-1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane?
2-tert-butyl-1H-indole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;4-chloro-1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane has a molecular weight of 1519.70 g/mol, XLogP of 25.46, 15 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-indole;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;4-chloro-1-methyl-2-propan-2-ylindole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-(2-methylpropyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane is sourced from PubChem (CID 161182904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).