(2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one

C23H16N2O4 — CID 59228815

IUPAC(2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one
SMILESCn1c(-c2ccccc2)c(/C=C2\Oc3cc(O)cc(O)c3C2=O)c2cccnc21
InChIInChI=1S/C23H16N2O4/c1-25-21(13-6-3-2-4-7-13)16(15-8-5-9-24-23(15)25)12-19-22(28)20-17(27)10-14(26)11-18(20)29-19/h2-12,26-27H,1H3/b19-12-
InChIKeyAQVMQIKXXCANGQ-UNOMPAQXSA-N
MW384.39 g/mol
LogP4.27
Rot. Bonds2

About (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one

(2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one (PubChem CID 59228815) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one
PubChem CID59228815
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC Name(2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one
SMILESCn1c(-c2ccccc2)c(/C=C2\Oc3cc(O)cc(O)c3C2=O)c2cccnc21
InChIInChI=1S/C23H16N2O4/c1-25-21(13-6-3-2-4-7-13)16(15-8-5-9-24-23(15)25)12-19-22(28)20-17(27)10-14(26)11-18(20)29-19/h2-12,26-27H,1H3/b19-12-
InChIKeyAQVMQIKXXCANGQ-UNOMPAQXSA-N
XLogP4.27
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one (CID 59228815) is (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one is Cn1c(-c2ccccc2)c(/C=C2\Oc3cc(O)cc(O)c3C2=O)c2cccnc21.
What is the InChIKey of (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one?
The InChIKey is AQVMQIKXXCANGQ-UNOMPAQXSA-N. The full InChI is InChI=1S/C23H16N2O4/c1-25-21(13-6-3-2-4-7-13)16(15-8-5-9-24-23(15)25)12-19-22(28)20-17(27)10-14(26)11-18(20)29-19/h2-12,26-27H,1H3/b19-12-.
What are the key properties of (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one?
(2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one has a molecular weight of 384.39 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4,6-dihydroxy-2-[(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 59228815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).