1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;1-tert-butyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-chloro-1-methyl-2-propan-2-ylindole;1,2-dimethyl-4-propan-2-ylbenzene;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane

C159H215ClFN15O4SSi — CID 161154670

About 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;1-tert-butyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-chloro-1-methyl-2-propan-2-ylindole;1,2-dimethyl-4-propan-2-ylbenzene;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane

1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;1-tert-butyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-chloro-1-methyl-2-propan-2-ylindole;1,2-dimethyl-4-propan-2-ylbenzene;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane (PubChem CID 161154670) has the molecular formula C159H215ClFN15O4SSi and a molecular weight of 2515.17 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;1-tert-butyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-chloro-1-methyl-2-propan-2-ylindole;1,2-dimethyl-4-propan-2-ylbenzene;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane.

Molecular Properties

• Compound Name: 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;1-tert-butyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-chloro-1-methyl-2-propan-2-ylindole;1,2-dimethyl-4-propan-2-ylbenzene;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane
• PubChem CID: 161154670
• Molecular Formula: C159H215ClFN15O4SSi
• Molecular Weight: 2515.17 g/mol
• Exact Mass: 2512.62
• IUPAC Name: 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;1-tert-butyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-chloro-1-methyl-2-propan-2-ylindole;1,2-dimethyl-4-propan-2-ylbenzene;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane
• SMILES: CC(C)/C(F)=C/c1ccc(C#N)cc1.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)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(OCc2ccccc2)cc1.CC(C)c1cccc(CC#N)c1.CC(C)c1cnc2c(c1)ncn2COCC[Si](C)(C)C.CC(C)c1cnn(C(C)(C)C)c1.CC(C)c1cnn([C@@H](C)c2ccccc2)c1.CC[C@@H](C)n1nc(C2CC2)c2cc(C(C)C)ccc21.Cc1ccc(C(C)C)cc1C
• InChI: InChI=1S/C17H24N2.C16H18O.C15H25N3OSi.C15H23NO2S.C14H18N2.C13H14N2.C13H20.C12H14ClN.C12H12FN.C11H13N.C11H16.C10H18N2/c1-5-12(4)19-16-9-8-14(11(2)3)10-15(16)17(18-19)13-6-7-13;1-13(2)15-8-10-16(11-9-15)17-12-14-6-4-3-5-7-14;1-12(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;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-9(2)12-7-11-5-4-10(8-14)6-13(11)15(12)3;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8(2)12-7-9-10(13)5-4-6-11(9)14(12)3;1-9(2)12(13)7-10-3-5-11(8-14)6-4-10;1-9(2)11-5-3-4-10(8-11)6-7-12;1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)9-6-11-12(7-9)10(3,4)5/h8-13H,5-7H2,1-4H3;3-11,13H,12H2,1-2H3;8-10,12H,6-7,11H2,1-5H3;8,10H,6-7,9H2,1-5H3;4-12H,1-3H3;4-7,9H,1-3H3;6-10H,1-5H3;4-8H,1-3H3;3-7,9H,1-2H3;3-5,8-9H,6H2,1-2H3;5-8H,1-4H3;6-8H,1-5H3/b;;;;;;;;12-7-;;;/t12-;;;;12-;;;;;;;/m1...0......./s1
• InChIKey: UPDHLNNHGJKVRR-LATVOYFSSA-N
• XLogP: 44.87
• TPSA: 213.40 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 27
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2515.17
LogP ≤ 5	44.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;1-tert-butyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-chloro-1-methyl-2-propan-2-ylindole;1,2-dimethyl-4-propan-2-ylbenzene;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane?

The IUPAC name of 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;1-tert-butyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-chloro-1-methyl-2-propan-2-ylindole;1,2-dimethyl-4-propan-2-ylbenzene;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane (CID 161154670) is 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;1-tert-butyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-chloro-1-methyl-2-propan-2-ylindole;1,2-dimethyl-4-propan-2-ylbenzene;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane.

What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;1-tert-butyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-chloro-1-methyl-2-propan-2-ylindole;1,2-dimethyl-4-propan-2-ylbenzene;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane?

The canonical SMILES for 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;1-tert-butyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-chloro-1-methyl-2-propan-2-ylindole;1,2-dimethyl-4-propan-2-ylbenzene;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane is CC(C)/C(F)=C/c1ccc(C#N)cc1.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)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(OCc2ccccc2)cc1.CC(C)c1cccc(CC#N)c1.CC(C)c1cnc2c(c1)ncn2COCC[Si](C)(C)C.CC(C)c1cnn(C(C)(C)C)c1.CC(C)c1cnn([C@@H](C)c2ccccc2)c1.CC[C@@H](C)n1nc(C2CC2)c2cc(C(C)C)ccc21.Cc1ccc(C(C)C)cc1C.

What is the InChIKey of 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;1-tert-butyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-chloro-1-methyl-2-propan-2-ylindole;1,2-dimethyl-4-propan-2-ylbenzene;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane?

The InChIKey is UPDHLNNHGJKVRR-LATVOYFSSA-N. The full InChI is InChI=1S/C17H24N2.C16H18O.C15H25N3OSi.C15H23NO2S.C14H18N2.C13H14N2.C13H20.C12H14ClN.C12H12FN.C11H13N.C11H16.C10H18N2/c1-5-12(4)19-16-9-8-14(11(2)3)10-15(16)17(18-19)13-6-7-13;1-13(2)15-8-10-16(11-9-15)17-12-14-6-4-3-5-7-14;1-12(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;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-9(2)12-7-11-5-4-10(8-14)6-13(11)15(12)3;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-8(2)12-7-9-10(13)5-4-6-11(9)14(12)3;1-9(2)12(13)7-10-3-5-11(8-14)6-4-10;1-9(2)11-5-3-4-10(8-11)6-7-12;1-8(2)11-6-5-9(3)10(4)7-11;1-8(2)9-6-11-12(7-9)10(3,4)5/h8-13H,5-7H2,1-4H3;3-11,13H,12H2,1-2H3;8-10,12H,6-7,11H2,1-5H3;8,10H,6-7,9H2,1-5H3;4-12H,1-3H3;4-7,9H,1-3H3;6-10H,1-5H3;4-8H,1-3H3;3-7,9H,1-2H3;3-5,8-9H,6H2,1-2H3;5-8H,1-4H3;6-8H,1-5H3/b;;;;;;;;12-7-;;;/t12-;;;;12-;;;;;;;/m1...0......./s1.

What are the key properties of 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;1-tert-butyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-chloro-1-methyl-2-propan-2-ylindole;1,2-dimethyl-4-propan-2-ylbenzene;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane?

1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;1-tert-butyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-chloro-1-methyl-2-propan-2-ylindole;1,2-dimethyl-4-propan-2-ylbenzene;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane has a molecular weight of 2515.17 g/mol, XLogP of 44.87, 27 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;1-tert-butyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-chloro-1-methyl-2-propan-2-ylindole;1,2-dimethyl-4-propan-2-ylbenzene;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;trimethyl-[2-[(6-propan-2-ylimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl]silane is sourced from PubChem (CID 161154670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).