2-tert-butyl-3-isocyano-5,6-dimethyl-1H-indole;2-tert-butyl-3-isocyano-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyridine;8-fluoro-6-propan-2-yl-4H-chromen-3-one;3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile;6-propan-2-yl-4H-chromen-3-one;6-propan-2-yl-4H-pyrano[3,2-b]pyridin-3-one;2-propan-2-yl-8H-pyrano[3,2-d]pyrimidin-7-one;6-propan-2-yl-4H-thiochromen-3-one;6-propan-2-yl-4H-thiopyrano[2,3-b]pyridin-3-one;6-propan-2-yl-4H-thiopyrano[3,2-b]pyridin-3-one

C154H186FN17O13S3 — CID 159782678

IUPAC2-tert-butyl-3-isocyano-5,6-dimethyl-1H-indole;2-tert-butyl-3-isocyano-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyridine;8-fluoro-6-propan-2-yl-4H-chromen-3-one;3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile;6-propan-2-yl-4H-chromen-3-one;6-propan-2-yl-4H-pyrano[3,2-b]pyridin-3-one;2-propan-2-yl-8H-pyrano[3,2-d]pyrimidin-7-one;6-propan-2-yl-4H-thiochromen-3-one;6-propan-2-yl-4H-thiopyrano[2,3-b]pyridin-3-one;6-propan-2-yl-4H-thiopyrano[3,2-b]pyridin-3-one
SMILESCC(C)c1cc(C#N)c2c(c1)CC(=O)CO2.CC(C)c1cc(F)c2c(c1)CC(=O)CO2.CC(C)c1ccc2c(c1)CC(=O)CO2.CC(C)c1ccc2c(c1)CC(=O)CS2.CC(C)c1ccc2c(n1)CC(=O)CO2.CC(C)c1ccc2c(n1)CC(=O)CS2.CC(C)c1cnc2c(c1)CC(=O)CS2.CC(C)c1ncc2c(n1)CC(=O)CO2.Cc1cc(C(C)C)cnc1C.Cc1cc2[nH]c(C(C)C)nc2nc1C.Cc1cc2nc(C(C)C)[nH]c2cc1C.[C-]#[N+]c1c(C(C)(C)C)[nH]c2cc(C)c(C)cc12.[C-]#[N+]c1c(C(C)(C)C)[nH]c2nc(C)c(C)cc12
InChIInChI=1S/C15H18N2.C14H17N3.C13H13NO2.C12H13FO2.C12H16N2.C12H14O2.C12H14OS.C11H15N3.C11H13NO2.2C11H13NOS.C10H12N2O2.C10H15N/c1-9-7-11-12(8-10(9)2)17-14(13(11)16-6)15(3,4)5;1-8-7-10-11(15-6)12(14(3,4)5)17-13(10)16-9(8)2;1-8(2)9-3-10-5-12(15)7-16-13(10)11(4-9)6-14;1-7(2)8-3-9-4-10(14)6-15-12(9)11(13)5-8;1-7(2)12-13-10-5-8(3)9(4)6-11(10)14-12;2*1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12;1-6(2)10-13-9-5-7(3)8(4)12-11(9)14-10;1-7(2)9-3-4-11-10(12-9)5-8(13)6-14-11;1-7(2)9-3-8-4-10(13)6-14-11(8)12-5-9;1-7(2)9-3-4-11-10(12-9)5-8(13)6-14-11;1-6(2)10-11-4-9-8(12-10)3-7(13)5-14-9;1-7(2)10-5-8(3)9(4)11-6-10/h7-8,17H,1-5H3;7H,1-5H3,(H,16,17);3-4,8H,5,7H2,1-2H3;3,5,7H,4,6H2,1-2H3;5-7H,1-4H3,(H,13,14);2*3-5,8H,6-7H2,1-2H3;5-6H,1-4H3,(H,12,13,14);3-4,7H,5-6H2,1-2H3;3,5,7H,4,6H2,1-2H3;3-4,7H,5-6H2,1-2H3;4,6H,3,5H2,1-2H3;5-7H,1-4H3
InChIKeyNHOBSAWDDFYAER-UHFFFAOYSA-N
MW2598.49 g/mol
LogP35.12
Rot. Bonds11

About 2-tert-butyl-3-isocyano-5,6-dimethyl-1H-indole;2-tert-butyl-3-isocyano-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyridine;8-fluoro-6-propan-2-yl-4H-chromen-3-one;3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile;6-propan-2-yl-4H-chromen-3-one;6-propan-2-yl-4H-pyrano[3,2-b]pyridin-3-one;2-propan-2-yl-8H-pyrano[3,2-d]pyrimidin-7-one;6-propan-2-yl-4H-thiochromen-3-one;6-propan-2-yl-4H-thiopyrano[2,3-b]pyridin-3-one;6-propan-2-yl-4H-thiopyrano[3,2-b]pyridin-3-one

2-tert-butyl-3-isocyano-5,6-dimethyl-1H-indole;2-tert-butyl-3-isocyano-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyridine;8-fluoro-6-propan-2-yl-4H-chromen-3-one;3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile;6-propan-2-yl-4H-chromen-3-one;6-propan-2-yl-4H-pyrano[3,2-b]pyridin-3-one;2-propan-2-yl-8H-pyrano[3,2-d]pyrimidin-7-one;6-propan-2-yl-4H-thiochromen-3-one;6-propan-2-yl-4H-thiopyrano[2,3-b]pyridin-3-one;6-propan-2-yl-4H-thiopyrano[3,2-b]pyridin-3-one (PubChem CID 159782678) has the molecular formula C154H186FN17O13S3 and a molecular weight of 2598.49 g/mol. Its IUPAC name is 2-tert-butyl-3-isocyano-5,6-dimethyl-1H-indole;2-tert-butyl-3-isocyano-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyridine;8-fluoro-6-propan-2-yl-4H-chromen-3-one;3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile;6-propan-2-yl-4H-chromen-3-one;6-propan-2-yl-4H-pyrano[3,2-b]pyridin-3-one;2-propan-2-yl-8H-pyrano[3,2-d]pyrimidin-7-one;6-propan-2-yl-4H-thiochromen-3-one;6-propan-2-yl-4H-thiopyrano[2,3-b]pyridin-3-one;6-propan-2-yl-4H-thiopyrano[3,2-b]pyridin-3-one.

Molecular Properties

Compound Name2-tert-butyl-3-isocyano-5,6-dimethyl-1H-indole;2-tert-butyl-3-isocyano-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyridine;8-fluoro-6-propan-2-yl-4H-chromen-3-one;3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile;6-propan-2-yl-4H-chromen-3-one;6-propan-2-yl-4H-pyrano[3,2-b]pyridin-3-one;2-propan-2-yl-8H-pyrano[3,2-d]pyrimidin-7-one;6-propan-2-yl-4H-thiochromen-3-one;6-propan-2-yl-4H-thiopyrano[2,3-b]pyridin-3-one;6-propan-2-yl-4H-thiopyrano[3,2-b]pyridin-3-one
PubChem CID159782678
Molecular FormulaC154H186FN17O13S3
Molecular Weight2598.49 g/mol
Exact Mass2596.36
IUPAC Name2-tert-butyl-3-isocyano-5,6-dimethyl-1H-indole;2-tert-butyl-3-isocyano-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyridine;8-fluoro-6-propan-2-yl-4H-chromen-3-one;3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile;6-propan-2-yl-4H-chromen-3-one;6-propan-2-yl-4H-pyrano[3,2-b]pyridin-3-one;2-propan-2-yl-8H-pyrano[3,2-d]pyrimidin-7-one;6-propan-2-yl-4H-thiochromen-3-one;6-propan-2-yl-4H-thiopyrano[2,3-b]pyridin-3-one;6-propan-2-yl-4H-thiopyrano[3,2-b]pyridin-3-one
SMILESCC(C)c1cc(C#N)c2c(c1)CC(=O)CO2.CC(C)c1cc(F)c2c(c1)CC(=O)CO2.CC(C)c1ccc2c(c1)CC(=O)CO2.CC(C)c1ccc2c(c1)CC(=O)CS2.CC(C)c1ccc2c(n1)CC(=O)CO2.CC(C)c1ccc2c(n1)CC(=O)CS2.CC(C)c1cnc2c(c1)CC(=O)CS2.CC(C)c1ncc2c(n1)CC(=O)CO2.Cc1cc(C(C)C)cnc1C.Cc1cc2[nH]c(C(C)C)nc2nc1C.Cc1cc2nc(C(C)C)[nH]c2cc1C.[C-]#[N+]c1c(C(C)(C)C)[nH]c2cc(C)c(C)cc12.[C-]#[N+]c1c(C(C)(C)C)[nH]c2nc(C)c(C)cc12
InChIInChI=1S/C15H18N2.C14H17N3.C13H13NO2.C12H13FO2.C12H16N2.C12H14O2.C12H14OS.C11H15N3.C11H13NO2.2C11H13NOS.C10H12N2O2.C10H15N/c1-9-7-11-12(8-10(9)2)17-14(13(11)16-6)15(3,4)5;1-8-7-10-11(15-6)12(14(3,4)5)17-13(10)16-9(8)2;1-8(2)9-3-10-5-12(15)7-16-13(10)11(4-9)6-14;1-7(2)8-3-9-4-10(14)6-15-12(9)11(13)5-8;1-7(2)12-13-10-5-8(3)9(4)6-11(10)14-12;2*1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12;1-6(2)10-13-9-5-7(3)8(4)12-11(9)14-10;1-7(2)9-3-4-11-10(12-9)5-8(13)6-14-11;1-7(2)9-3-8-4-10(13)6-14-11(8)12-5-9;1-7(2)9-3-4-11-10(12-9)5-8(13)6-14-11;1-6(2)10-11-4-9-8(12-10)3-7(13)5-14-9;1-7(2)10-5-8(3)9(4)11-6-10/h7-8,17H,1-5H3;7H,1-5H3,(H,16,17);3-4,8H,5,7H2,1-2H3;3,5,7H,4,6H2,1-2H3;5-7H,1-4H3,(H,13,14);2*3-5,8H,6-7H2,1-2H3;5-6H,1-4H3,(H,12,13,14);3-4,7H,5-6H2,1-2H3;3,5,7H,4,6H2,1-2H3;3-4,7H,5-6H2,1-2H3;4,6H,3,5H2,1-2H3;5-7H,1-4H3
InChIKeyNHOBSAWDDFYAER-UHFFFAOYSA-N
XLogP35.12
TPSA407.28 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds11
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002598.49
LogP ≤ 535.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-tert-butyl-3-isocyano-5,6-dimethyl-1H-indole;2-tert-butyl-3-isocyano-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyridine;8-fluoro-6-propan-2-yl-4H-chromen-3-one;3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile;6-propan-2-yl-4H-chromen-3-one;6-propan-2-yl-4H-pyrano[3,2-b]pyridin-3-one;2-propan-2-yl-8H-pyrano[3,2-d]pyrimidin-7-one;6-propan-2-yl-4H-thiochromen-3-one;6-propan-2-yl-4H-thiopyrano[2,3-b]pyridin-3-one;6-propan-2-yl-4H-thiopyrano[3,2-b]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-isocyano-5,6-dimethyl-1H-indole;2-tert-butyl-3-isocyano-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyridine;8-fluoro-6-propan-2-yl-4H-chromen-3-one;3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile;6-propan-2-yl-4H-chromen-3-one;6-propan-2-yl-4H-pyrano[3,2-b]pyridin-3-one;2-propan-2-yl-8H-pyrano[3,2-d]pyrimidin-7-one;6-propan-2-yl-4H-thiochromen-3-one;6-propan-2-yl-4H-thiopyrano[2,3-b]pyridin-3-one;6-propan-2-yl-4H-thiopyrano[3,2-b]pyridin-3-one?
The IUPAC name of 2-tert-butyl-3-isocyano-5,6-dimethyl-1H-indole;2-tert-butyl-3-isocyano-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyridine;8-fluoro-6-propan-2-yl-4H-chromen-3-one;3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile;6-propan-2-yl-4H-chromen-3-one;6-propan-2-yl-4H-pyrano[3,2-b]pyridin-3-one;2-propan-2-yl-8H-pyrano[3,2-d]pyrimidin-7-one;6-propan-2-yl-4H-thiochromen-3-one;6-propan-2-yl-4H-thiopyrano[2,3-b]pyridin-3-one;6-propan-2-yl-4H-thiopyrano[3,2-b]pyridin-3-one (CID 159782678) is 2-tert-butyl-3-isocyano-5,6-dimethyl-1H-indole;2-tert-butyl-3-isocyano-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyridine;8-fluoro-6-propan-2-yl-4H-chromen-3-one;3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile;6-propan-2-yl-4H-chromen-3-one;6-propan-2-yl-4H-pyrano[3,2-b]pyridin-3-one;2-propan-2-yl-8H-pyrano[3,2-d]pyrimidin-7-one;6-propan-2-yl-4H-thiochromen-3-one;6-propan-2-yl-4H-thiopyrano[2,3-b]pyridin-3-one;6-propan-2-yl-4H-thiopyrano[3,2-b]pyridin-3-one.
What is the SMILES notation for 2-tert-butyl-3-isocyano-5,6-dimethyl-1H-indole;2-tert-butyl-3-isocyano-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyridine;8-fluoro-6-propan-2-yl-4H-chromen-3-one;3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile;6-propan-2-yl-4H-chromen-3-one;6-propan-2-yl-4H-pyrano[3,2-b]pyridin-3-one;2-propan-2-yl-8H-pyrano[3,2-d]pyrimidin-7-one;6-propan-2-yl-4H-thiochromen-3-one;6-propan-2-yl-4H-thiopyrano[2,3-b]pyridin-3-one;6-propan-2-yl-4H-thiopyrano[3,2-b]pyridin-3-one?
The canonical SMILES for 2-tert-butyl-3-isocyano-5,6-dimethyl-1H-indole;2-tert-butyl-3-isocyano-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyridine;8-fluoro-6-propan-2-yl-4H-chromen-3-one;3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile;6-propan-2-yl-4H-chromen-3-one;6-propan-2-yl-4H-pyrano[3,2-b]pyridin-3-one;2-propan-2-yl-8H-pyrano[3,2-d]pyrimidin-7-one;6-propan-2-yl-4H-thiochromen-3-one;6-propan-2-yl-4H-thiopyrano[2,3-b]pyridin-3-one;6-propan-2-yl-4H-thiopyrano[3,2-b]pyridin-3-one is CC(C)c1cc(C#N)c2c(c1)CC(=O)CO2.CC(C)c1cc(F)c2c(c1)CC(=O)CO2.CC(C)c1ccc2c(c1)CC(=O)CO2.CC(C)c1ccc2c(c1)CC(=O)CS2.CC(C)c1ccc2c(n1)CC(=O)CO2.CC(C)c1ccc2c(n1)CC(=O)CS2.CC(C)c1cnc2c(c1)CC(=O)CS2.CC(C)c1ncc2c(n1)CC(=O)CO2.Cc1cc(C(C)C)cnc1C.Cc1cc2[nH]c(C(C)C)nc2nc1C.Cc1cc2nc(C(C)C)[nH]c2cc1C.[C-]#[N+]c1c(C(C)(C)C)[nH]c2cc(C)c(C)cc12.[C-]#[N+]c1c(C(C)(C)C)[nH]c2nc(C)c(C)cc12.
What is the InChIKey of 2-tert-butyl-3-isocyano-5,6-dimethyl-1H-indole;2-tert-butyl-3-isocyano-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyridine;8-fluoro-6-propan-2-yl-4H-chromen-3-one;3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile;6-propan-2-yl-4H-chromen-3-one;6-propan-2-yl-4H-pyrano[3,2-b]pyridin-3-one;2-propan-2-yl-8H-pyrano[3,2-d]pyrimidin-7-one;6-propan-2-yl-4H-thiochromen-3-one;6-propan-2-yl-4H-thiopyrano[2,3-b]pyridin-3-one;6-propan-2-yl-4H-thiopyrano[3,2-b]pyridin-3-one?
The InChIKey is NHOBSAWDDFYAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.C14H17N3.C13H13NO2.C12H13FO2.C12H16N2.C12H14O2.C12H14OS.C11H15N3.C11H13NO2.2C11H13NOS.C10H12N2O2.C10H15N/c1-9-7-11-12(8-10(9)2)17-14(13(11)16-6)15(3,4)5;1-8-7-10-11(15-6)12(14(3,4)5)17-13(10)16-9(8)2;1-8(2)9-3-10-5-12(15)7-16-13(10)11(4-9)6-14;1-7(2)8-3-9-4-10(14)6-15-12(9)11(13)5-8;1-7(2)12-13-10-5-8(3)9(4)6-11(10)14-12;2*1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12;1-6(2)10-13-9-5-7(3)8(4)12-11(9)14-10;1-7(2)9-3-4-11-10(12-9)5-8(13)6-14-11;1-7(2)9-3-8-4-10(13)6-14-11(8)12-5-9;1-7(2)9-3-4-11-10(12-9)5-8(13)6-14-11;1-6(2)10-11-4-9-8(12-10)3-7(13)5-14-9;1-7(2)10-5-8(3)9(4)11-6-10/h7-8,17H,1-5H3;7H,1-5H3,(H,16,17);3-4,8H,5,7H2,1-2H3;3,5,7H,4,6H2,1-2H3;5-7H,1-4H3,(H,13,14);2*3-5,8H,6-7H2,1-2H3;5-6H,1-4H3,(H,12,13,14);3-4,7H,5-6H2,1-2H3;3,5,7H,4,6H2,1-2H3;3-4,7H,5-6H2,1-2H3;4,6H,3,5H2,1-2H3;5-7H,1-4H3.
What are the key properties of 2-tert-butyl-3-isocyano-5,6-dimethyl-1H-indole;2-tert-butyl-3-isocyano-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyridine;8-fluoro-6-propan-2-yl-4H-chromen-3-one;3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile;6-propan-2-yl-4H-chromen-3-one;6-propan-2-yl-4H-pyrano[3,2-b]pyridin-3-one;2-propan-2-yl-8H-pyrano[3,2-d]pyrimidin-7-one;6-propan-2-yl-4H-thiochromen-3-one;6-propan-2-yl-4H-thiopyrano[2,3-b]pyridin-3-one;6-propan-2-yl-4H-thiopyrano[3,2-b]pyridin-3-one?
2-tert-butyl-3-isocyano-5,6-dimethyl-1H-indole;2-tert-butyl-3-isocyano-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyridine;8-fluoro-6-propan-2-yl-4H-chromen-3-one;3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile;6-propan-2-yl-4H-chromen-3-one;6-propan-2-yl-4H-pyrano[3,2-b]pyridin-3-one;2-propan-2-yl-8H-pyrano[3,2-d]pyrimidin-7-one;6-propan-2-yl-4H-thiochromen-3-one;6-propan-2-yl-4H-thiopyrano[2,3-b]pyridin-3-one;6-propan-2-yl-4H-thiopyrano[3,2-b]pyridin-3-one has a molecular weight of 2598.49 g/mol, XLogP of 35.12, 11 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-isocyano-5,6-dimethyl-1H-indole;2-tert-butyl-3-isocyano-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine;5,6-dimethyl-2-propan-2-yl-1H-benzimidazole;5,6-dimethyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyridine;8-fluoro-6-propan-2-yl-4H-chromen-3-one;3-oxo-6-propan-2-yl-4H-chromene-8-carbonitrile;6-propan-2-yl-4H-chromen-3-one;6-propan-2-yl-4H-pyrano[3,2-b]pyridin-3-one;2-propan-2-yl-8H-pyrano[3,2-d]pyrimidin-7-one;6-propan-2-yl-4H-thiochromen-3-one;6-propan-2-yl-4H-thiopyrano[2,3-b]pyridin-3-one;6-propan-2-yl-4H-thiopyrano[3,2-b]pyridin-3-one is sourced from PubChem (CID 159782678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).