3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole

C186H236F3N27O7 — CID 158421887

IUPAC3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCC(C)(C)c1cc2c(OCCCO)ccnc2n1Cc1ccccc1.CC(C)(C)c1cc2cc(OCCCO)cnc2n1Cc1ccccc1.CC(C)(C)c1cc2ccc(OCCCO)nc2n1Cc1ccccc1.CC(C)(C)c1cc2cccnc2n1CC1CCCCC1.CC(C)(C)c1cc2cccnc2n1CCc1ccccc1.CC1CCC(Cn2c(C(C)(C)C)cc3cccnc32)CC1.Cc1nn(C)cc1Cn1c(C(C)(C)C)cc2cccnc21.Cc1noc(C)c1Cn1c(C(C)(C)C)cc2cccnc21.Cn1cc(Cn2c(C(C)(C)C)cc3cccnc32)c(C(F)(F)F)n1.Cn1cc(Cn2c(C(C)(C)C)cc3cccnc32)cn1
InChIInChI=1S/3C21H26N2O2.C19H28N2.C19H22N2.C18H26N2.C17H19F3N4.C17H22N4.C17H21N3O.C16H20N4/c1-21(2,3)19-14-17-18(25-13-7-12-24)10-11-22-20(17)23(19)15-16-8-5-4-6-9-16;1-21(2,3)18-14-17-10-11-19(25-13-7-12-24)22-20(17)23(18)15-16-8-5-4-6-9-16;1-21(2,3)19-13-17-12-18(25-11-7-10-24)14-22-20(17)23(19)15-16-8-5-4-6-9-16;1-14-7-9-15(10-8-14)13-21-17(19(2,3)4)12-16-6-5-11-20-18(16)21;1-19(2,3)17-14-16-10-7-12-20-18(16)21(17)13-11-15-8-5-4-6-9-15;1-18(2,3)16-12-15-10-7-11-19-17(15)20(16)13-14-8-5-4-6-9-14;1-16(2,3)13-8-11-6-5-7-21-15(11)24(13)10-12-9-23(4)22-14(12)17(18,19)20;1-12-14(10-20(5)19-12)11-21-15(17(2,3)4)9-13-7-6-8-18-16(13)21;1-11-14(12(2)21-19-11)10-20-15(17(3,4)5)9-13-7-6-8-18-16(13)20;1-16(2,3)14-8-13-6-5-7-17-15(13)20(14)11-12-9-18-19(4)10-12/h2*4-6,8-11,14,24H,7,12-13,15H2,1-3H3;4-6,8-9,12-14,24H,7,10-11,15H2,1-3H3;5-6,11-12,14-15H,7-10,13H2,1-4H3;4-10,12,14H,11,13H2,1-3H3;7,10-12,14H,4-6,8-9,13H2,1-3H3;5-9H,10H2,1-4H3;6-10H,11H2,1-5H3;6-9H,10H2,1-5H3;5-10H,11H2,1-4H3
InChIKeyHAOWLUZMYUZEGL-UHFFFAOYSA-N
MW3019.11 g/mol
LogP41.74
Rot. Bonds33

About 3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole

3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158421887) has the molecular formula C186H236F3N27O7 and a molecular weight of 3019.11 g/mol. Its IUPAC name is 3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID158421887
Molecular FormulaC186H236F3N27O7
Molecular Weight3019.11 g/mol
Exact Mass3016.89
IUPAC Name3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCC(C)(C)c1cc2c(OCCCO)ccnc2n1Cc1ccccc1.CC(C)(C)c1cc2cc(OCCCO)cnc2n1Cc1ccccc1.CC(C)(C)c1cc2ccc(OCCCO)nc2n1Cc1ccccc1.CC(C)(C)c1cc2cccnc2n1CC1CCCCC1.CC(C)(C)c1cc2cccnc2n1CCc1ccccc1.CC1CCC(Cn2c(C(C)(C)C)cc3cccnc32)CC1.Cc1nn(C)cc1Cn1c(C(C)(C)C)cc2cccnc21.Cc1noc(C)c1Cn1c(C(C)(C)C)cc2cccnc21.Cn1cc(Cn2c(C(C)(C)C)cc3cccnc32)c(C(F)(F)F)n1.Cn1cc(Cn2c(C(C)(C)C)cc3cccnc32)cn1
InChIInChI=1S/3C21H26N2O2.C19H28N2.C19H22N2.C18H26N2.C17H19F3N4.C17H22N4.C17H21N3O.C16H20N4/c1-21(2,3)19-14-17-18(25-13-7-12-24)10-11-22-20(17)23(19)15-16-8-5-4-6-9-16;1-21(2,3)18-14-17-10-11-19(25-13-7-12-24)22-20(17)23(18)15-16-8-5-4-6-9-16;1-21(2,3)19-13-17-12-18(25-11-7-10-24)14-22-20(17)23(19)15-16-8-5-4-6-9-16;1-14-7-9-15(10-8-14)13-21-17(19(2,3)4)12-16-6-5-11-20-18(16)21;1-19(2,3)17-14-16-10-7-12-20-18(16)21(17)13-11-15-8-5-4-6-9-15;1-18(2,3)16-12-15-10-7-11-19-17(15)20(16)13-14-8-5-4-6-9-14;1-16(2,3)13-8-11-6-5-7-21-15(11)24(13)10-12-9-23(4)22-14(12)17(18,19)20;1-12-14(10-20(5)19-12)11-21-15(17(2,3)4)9-13-7-6-8-18-16(13)21;1-11-14(12(2)21-19-11)10-20-15(17(3,4)5)9-13-7-6-8-18-16(13)20;1-16(2,3)14-8-13-6-5-7-17-15(13)20(14)11-12-9-18-19(4)10-12/h2*4-6,8-11,14,24H,7,12-13,15H2,1-3H3;4-6,8-9,12-14,24H,7,10-11,15H2,1-3H3;5-6,11-12,14-15H,7-10,13H2,1-4H3;4-10,12,14H,11,13H2,1-3H3;7,10-12,14H,4-6,8-9,13H2,1-3H3;5-9H,10H2,1-4H3;6-10H,11H2,1-5H3;6-9H,10H2,1-5H3;5-10H,11H2,1-4H3
InChIKeyHAOWLUZMYUZEGL-UHFFFAOYSA-N
XLogP41.74
TPSA346.07 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds33
Heavy Atoms223
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003019.11
LogP ≤ 541.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole (CID 158421887) is 3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole is CC(C)(C)c1cc2c(OCCCO)ccnc2n1Cc1ccccc1.CC(C)(C)c1cc2cc(OCCCO)cnc2n1Cc1ccccc1.CC(C)(C)c1cc2ccc(OCCCO)nc2n1Cc1ccccc1.CC(C)(C)c1cc2cccnc2n1CC1CCCCC1.CC(C)(C)c1cc2cccnc2n1CCc1ccccc1.CC1CCC(Cn2c(C(C)(C)C)cc3cccnc32)CC1.Cc1nn(C)cc1Cn1c(C(C)(C)C)cc2cccnc21.Cc1noc(C)c1Cn1c(C(C)(C)C)cc2cccnc21.Cn1cc(Cn2c(C(C)(C)C)cc3cccnc32)c(C(F)(F)F)n1.Cn1cc(Cn2c(C(C)(C)C)cc3cccnc32)cn1.
What is the InChIKey of 3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is HAOWLUZMYUZEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H26N2O2.C19H28N2.C19H22N2.C18H26N2.C17H19F3N4.C17H22N4.C17H21N3O.C16H20N4/c1-21(2,3)19-14-17-18(25-13-7-12-24)10-11-22-20(17)23(19)15-16-8-5-4-6-9-16;1-21(2,3)18-14-17-10-11-19(25-13-7-12-24)22-20(17)23(18)15-16-8-5-4-6-9-16;1-21(2,3)19-13-17-12-18(25-11-7-10-24)14-22-20(17)23(19)15-16-8-5-4-6-9-16;1-14-7-9-15(10-8-14)13-21-17(19(2,3)4)12-16-6-5-11-20-18(16)21;1-19(2,3)17-14-16-10-7-12-20-18(16)21(17)13-11-15-8-5-4-6-9-15;1-18(2,3)16-12-15-10-7-11-19-17(15)20(16)13-14-8-5-4-6-9-14;1-16(2,3)13-8-11-6-5-7-21-15(11)24(13)10-12-9-23(4)22-14(12)17(18,19)20;1-12-14(10-20(5)19-12)11-21-15(17(2,3)4)9-13-7-6-8-18-16(13)21;1-11-14(12(2)21-19-11)10-20-15(17(3,4)5)9-13-7-6-8-18-16(13)20;1-16(2,3)14-8-13-6-5-7-17-15(13)20(14)11-12-9-18-19(4)10-12/h2*4-6,8-11,14,24H,7,12-13,15H2,1-3H3;4-6,8-9,12-14,24H,7,10-11,15H2,1-3H3;5-6,11-12,14-15H,7-10,13H2,1-4H3;4-10,12,14H,11,13H2,1-3H3;7,10-12,14H,4-6,8-9,13H2,1-3H3;5-9H,10H2,1-4H3;6-10H,11H2,1-5H3;6-9H,10H2,1-5H3;5-10H,11H2,1-4H3.
What are the key properties of 3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 3019.11 g/mol, XLogP of 41.74, 33 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-4-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-5-yl)oxypropan-1-ol;3-(1-benzyl-2-tert-butylpyrrolo[2,3-b]pyridin-6-yl)oxypropan-1-ol;2-tert-butyl-1-(cyclohexylmethyl)pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(4-methylcyclohexyl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolo[2,3-b]pyridine;2-tert-butyl-1-(2-phenylethyl)pyrrolo[2,3-b]pyridine;4-[(2-tert-butylpyrrolo[2,3-b]pyridin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158421887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).