4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(3-methoxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C41H34N4O6 — CID 164966773

IUPAC4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(3-methoxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOc1cccc(-c2cn(C)c(=O)c3[nH]ccc23)c1Oc1ccccc1.Cn1cc(-c2cccc(O)c2Oc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C21H18N2O3.C20H16N2O3/c1-23-13-17(15-11-12-22-19(15)21(23)24)16-9-6-10-18(25-2)20(16)26-14-7-4-3-5-8-14;1-22-12-16(14-10-11-21-18(14)20(22)24)15-8-5-9-17(23)19(15)25-13-6-3-2-4-7-13/h3-13,22H,1-2H3;2-12,21,23H,1H3
InChIKeyCOUYCDOTKCBYLN-UHFFFAOYSA-N
MW678.75 g/mol
LogP8.37
Rot. Bonds7

About 4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(3-methoxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(3-methoxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 164966773) has the molecular formula C41H34N4O6 and a molecular weight of 678.75 g/mol. Its IUPAC name is 4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(3-methoxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(3-methoxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID164966773
Molecular FormulaC41H34N4O6
Molecular Weight678.75 g/mol
Exact Mass678.25
IUPAC Name4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(3-methoxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOc1cccc(-c2cn(C)c(=O)c3[nH]ccc23)c1Oc1ccccc1.Cn1cc(-c2cccc(O)c2Oc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C21H18N2O3.C20H16N2O3/c1-23-13-17(15-11-12-22-19(15)21(23)24)16-9-6-10-18(25-2)20(16)26-14-7-4-3-5-8-14;1-22-12-16(14-10-11-21-18(14)20(22)24)15-8-5-9-17(23)19(15)25-13-6-3-2-4-7-13/h3-13,22H,1-2H3;2-12,21,23H,1H3
InChIKeyCOUYCDOTKCBYLN-UHFFFAOYSA-N
XLogP8.37
TPSA123.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.75
LogP ≤ 58.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(3-methoxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(3-methoxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(3-methoxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 164966773) is 4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(3-methoxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(3-methoxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(3-methoxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is COc1cccc(-c2cn(C)c(=O)c3[nH]ccc23)c1Oc1ccccc1.Cn1cc(-c2cccc(O)c2Oc2ccccc2)c2cc[nH]c2c1=O.
What is the InChIKey of 4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(3-methoxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is COUYCDOTKCBYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3.C20H16N2O3/c1-23-13-17(15-11-12-22-19(15)21(23)24)16-9-6-10-18(25-2)20(16)26-14-7-4-3-5-8-14;1-22-12-16(14-10-11-21-18(14)20(22)24)15-8-5-9-17(23)19(15)25-13-6-3-2-4-7-13/h3-13,22H,1-2H3;2-12,21,23H,1H3.
What are the key properties of 4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(3-methoxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(3-methoxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 678.75 g/mol, XLogP of 8.37, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;4-(3-methoxy-2-phenoxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 164966773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).