tert-butyl-indol-1-yl-dimethylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

C68H93N9O5Si — CID 160923196

IUPACtert-butyl-indol-1-yl-dimethylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC(C)(C)[Si](C)(C)n1ccc2ccccc21.CC1(C)OC(=O)C(C(c2c[nH]c3ncccc23)C2CCCCC2)C(=O)O1.CNC(=O)CC(c1c[nH]c2ncccc12)C1CCCCC1.CNCCC(c1c[nH]c2ncccc12)C1CCCCC1
InChIInChI=1S/C20H24N2O4.C17H23N3O.C17H25N3.C14H21NSi/c1-20(2)25-18(23)16(19(24)26-20)15(12-7-4-3-5-8-12)14-11-22-17-13(14)9-6-10-21-17;1-18-16(21)10-14(12-6-3-2-4-7-12)15-11-20-17-13(15)8-5-9-19-17;1-18-11-9-14(13-6-3-2-4-7-13)16-12-20-17-15(16)8-5-10-19-17;1-14(2,3)16(4,5)15-11-10-12-8-6-7-9-13(12)15/h6,9-12,15-16H,3-5,7-8H2,1-2H3,(H,21,22);5,8-9,11-12,14H,2-4,6-7,10H2,1H3,(H,18,21)(H,19,20);5,8,10,12-14,18H,2-4,6-7,9,11H2,1H3,(H,19,20);6-11H,1-5H3
InChIKeySSHJQCGYYXUOEH-UHFFFAOYSA-N
MW1144.64 g/mol
LogP15.37
Rot. Bonds13

About tert-butyl-indol-1-yl-dimethylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

tert-butyl-indol-1-yl-dimethylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 160923196) has the molecular formula C68H93N9O5Si and a molecular weight of 1144.64 g/mol. Its IUPAC name is tert-butyl-indol-1-yl-dimethylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Nametert-butyl-indol-1-yl-dimethylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID160923196
Molecular FormulaC68H93N9O5Si
Molecular Weight1144.64 g/mol
Exact Mass1143.71
IUPAC Nametert-butyl-indol-1-yl-dimethylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC(C)(C)[Si](C)(C)n1ccc2ccccc21.CC1(C)OC(=O)C(C(c2c[nH]c3ncccc23)C2CCCCC2)C(=O)O1.CNC(=O)CC(c1c[nH]c2ncccc12)C1CCCCC1.CNCCC(c1c[nH]c2ncccc12)C1CCCCC1
InChIInChI=1S/C20H24N2O4.C17H23N3O.C17H25N3.C14H21NSi/c1-20(2)25-18(23)16(19(24)26-20)15(12-7-4-3-5-8-12)14-11-22-17-13(14)9-6-10-21-17;1-18-16(21)10-14(12-6-3-2-4-7-12)15-11-20-17-13(15)8-5-9-19-17;1-18-11-9-14(13-6-3-2-4-7-13)16-12-20-17-15(16)8-5-10-19-17;1-14(2,3)16(4,5)15-11-10-12-8-6-7-9-13(12)15/h6,9-12,15-16H,3-5,7-8H2,1-2H3,(H,21,22);5,8-9,11-12,14H,2-4,6-7,10H2,1H3,(H,18,21)(H,19,20);5,8,10,12-14,18H,2-4,6-7,9,11H2,1H3,(H,19,20);6-11H,1-5H3
InChIKeySSHJQCGYYXUOEH-UHFFFAOYSA-N
XLogP15.37
TPSA184.70 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001144.64
LogP ≤ 515.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-indol-1-yl-dimethylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione with MolForge

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Related Compounds

dimethyl 2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioate;bis(N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide);2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioic acid;3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-pyrrolo[2,3-b]pyridine
CID 157457865
tert-butyl-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;bis(3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-phenylpropanamide);5-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-phenylmethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 158599694
dimethyl 2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioate;N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioic acid;3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-pyrrolo[2,3-b]pyridine
CID 159257285
tert-butyl-dimethyl-pyrrolo[2,3-b]pyridin-1-ylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 160298668
2,2-dimethyl-1,3-dioxane-4,6-dione;1H-indole;3-(1H-indol-3-yl)-N-methyl-3-phenylpropanamide;3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine;5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 161306298
tert-butyl-(4-chloropyrrolo[2,3-b]pyridin-1-yl)-dimethylsilane;4-chloro-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-phenylpropanamide;3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-phenylpropan-1-amine;5-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-phenylmethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 161353328

Frequently Asked Questions

What is the IUPAC name of tert-butyl-indol-1-yl-dimethylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of tert-butyl-indol-1-yl-dimethylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 160923196) is tert-butyl-indol-1-yl-dimethylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for tert-butyl-indol-1-yl-dimethylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for tert-butyl-indol-1-yl-dimethylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione is CC(C)(C)[Si](C)(C)n1ccc2ccccc21.CC1(C)OC(=O)C(C(c2c[nH]c3ncccc23)C2CCCCC2)C(=O)O1.CNC(=O)CC(c1c[nH]c2ncccc12)C1CCCCC1.CNCCC(c1c[nH]c2ncccc12)C1CCCCC1.
What is the InChIKey of tert-butyl-indol-1-yl-dimethylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is SSHJQCGYYXUOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4.C17H23N3O.C17H25N3.C14H21NSi/c1-20(2)25-18(23)16(19(24)26-20)15(12-7-4-3-5-8-12)14-11-22-17-13(14)9-6-10-21-17;1-18-16(21)10-14(12-6-3-2-4-7-12)15-11-20-17-13(15)8-5-9-19-17;1-18-11-9-14(13-6-3-2-4-7-13)16-12-20-17-15(16)8-5-10-19-17;1-14(2,3)16(4,5)15-11-10-12-8-6-7-9-13(12)15/h6,9-12,15-16H,3-5,7-8H2,1-2H3,(H,21,22);5,8-9,11-12,14H,2-4,6-7,10H2,1H3,(H,18,21)(H,19,20);5,8,10,12-14,18H,2-4,6-7,9,11H2,1H3,(H,19,20);6-11H,1-5H3.
What are the key properties of tert-butyl-indol-1-yl-dimethylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione?
tert-butyl-indol-1-yl-dimethylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 1144.64 g/mol, XLogP of 15.37, 13 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-indol-1-yl-dimethylsilane;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;3-cyclohexyl-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine;5-[cyclohexyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 160923196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).