1-(2-hydroxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;methane;1-(2-methoxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one

C72H68N6O6 — CID 159937540

IUPAC1-(2-hydroxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;methane;1-(2-methoxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one
SMILESC.COc1ccccc1CC(=O)Cc1ccc(-c2cn(C)c3ccccc23)nc1.COc1ccccc1CC(=O)Cc1ccc(-c2cn(C)c3cnccc23)cc1.Cn1cc(-c2ccc(CC(=O)Cc3ccccc3O)cn2)c2ccccc21
InChIInChI=1S/2C24H22N2O2.C23H20N2O2.CH4/c1-26-16-21(20-8-4-5-9-23(20)26)22-12-11-17(15-25-22)13-19(27)14-18-7-3-6-10-24(18)28-2;1-26-16-22(21-11-12-25-15-23(21)26)18-9-7-17(8-10-18)13-20(27)14-19-5-3-4-6-24(19)28-2;1-25-15-20(19-7-3-4-8-22(19)25)21-11-10-16(14-24-21)12-18(26)13-17-6-2-5-9-23(17)27;/h2*3-12,15-16H,13-14H2,1-2H3;2-11,14-15,27H,12-13H2,1H3;1H4
InChIKeyOALIGKJJJLBUFS-UHFFFAOYSA-N
MW1113.37 g/mol
LogP14.14
Rot. Bonds17

About 1-(2-hydroxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;methane;1-(2-methoxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one

1-(2-hydroxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;methane;1-(2-methoxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one (PubChem CID 159937540) has the molecular formula C72H68N6O6 and a molecular weight of 1113.37 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;methane;1-(2-methoxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;methane;1-(2-methoxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one
PubChem CID159937540
Molecular FormulaC72H68N6O6
Molecular Weight1113.37 g/mol
Exact Mass1112.52
IUPAC Name1-(2-hydroxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;methane;1-(2-methoxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one
SMILESC.COc1ccccc1CC(=O)Cc1ccc(-c2cn(C)c3ccccc23)nc1.COc1ccccc1CC(=O)Cc1ccc(-c2cn(C)c3cnccc23)cc1.Cn1cc(-c2ccc(CC(=O)Cc3ccccc3O)cn2)c2ccccc21
InChIInChI=1S/2C24H22N2O2.C23H20N2O2.CH4/c1-26-16-21(20-8-4-5-9-23(20)26)22-12-11-17(15-25-22)13-19(27)14-18-7-3-6-10-24(18)28-2;1-26-16-22(21-11-12-25-15-23(21)26)18-9-7-17(8-10-18)13-20(27)14-19-5-3-4-6-24(19)28-2;1-25-15-20(19-7-3-4-8-22(19)25)21-11-10-16(14-24-21)12-18(26)13-17-6-2-5-9-23(17)27;/h2*3-12,15-16H,13-14H2,1-2H3;2-11,14-15,27H,12-13H2,1H3;1H4
InChIKeyOALIGKJJJLBUFS-UHFFFAOYSA-N
XLogP14.14
TPSA143.36 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001113.37
LogP ≤ 514.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 1-(2-hydroxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;methane;1-(2-methoxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;methane;1-(2-methoxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one?
The IUPAC name of 1-(2-hydroxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;methane;1-(2-methoxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one (CID 159937540) is 1-(2-hydroxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;methane;1-(2-methoxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;methane;1-(2-methoxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;methane;1-(2-methoxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one is C.COc1ccccc1CC(=O)Cc1ccc(-c2cn(C)c3ccccc23)nc1.COc1ccccc1CC(=O)Cc1ccc(-c2cn(C)c3cnccc23)cc1.Cn1cc(-c2ccc(CC(=O)Cc3ccccc3O)cn2)c2ccccc21.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;methane;1-(2-methoxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one?
The InChIKey is OALIGKJJJLBUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22N2O2.C23H20N2O2.CH4/c1-26-16-21(20-8-4-5-9-23(20)26)22-12-11-17(15-25-22)13-19(27)14-18-7-3-6-10-24(18)28-2;1-26-16-22(21-11-12-25-15-23(21)26)18-9-7-17(8-10-18)13-20(27)14-19-5-3-4-6-24(19)28-2;1-25-15-20(19-7-3-4-8-22(19)25)21-11-10-16(14-24-21)12-18(26)13-17-6-2-5-9-23(17)27;/h2*3-12,15-16H,13-14H2,1-2H3;2-11,14-15,27H,12-13H2,1H3;1H4.
What are the key properties of 1-(2-hydroxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;methane;1-(2-methoxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one?
1-(2-hydroxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;methane;1-(2-methoxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one has a molecular weight of 1113.37 g/mol, XLogP of 14.14, 17 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;methane;1-(2-methoxyphenyl)-3-[6-(1-methylindol-3-yl)-3-pyridinyl]propan-2-one;1-(2-methoxyphenyl)-3-[4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)phenyl]propan-2-one is sourced from PubChem (CID 159937540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).