(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one

C23H17N3O3 — CID 10215912

IUPAC(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one
SMILESCOc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2c[nH]c3ncccc23)ccc1O
InChIInChI=1S/C23H17N3O3/c1-29-21-11-14(5-7-20(21)27)13-4-6-17-18(23(28)26-19(17)10-13)9-15-12-25-22-16(15)3-2-8-24-22/h2-12,27H,1H3,(H,24,25)(H,26,28)/b18-9-
InChIKeyUVEHBAKIUGLPCL-NVMNQCDNSA-N
MW383.41 g/mol
LogP4.44
Rot. Bonds3

About (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one

(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one (PubChem CID 10215912) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one
PubChem CID10215912
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one
SMILESCOc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2c[nH]c3ncccc23)ccc1O
InChIInChI=1S/C23H17N3O3/c1-29-21-11-14(5-7-20(21)27)13-4-6-17-18(23(28)26-19(17)10-13)9-15-12-25-22-16(15)3-2-8-24-22/h2-12,27H,1H3,(H,24,25)(H,26,28)/b18-9-
InChIKeyUVEHBAKIUGLPCL-NVMNQCDNSA-N
XLogP4.44
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

A-432411
CID 10125830
(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 10309409
N-(3-(1H-imidazol-1-yl)propyl)-5-((6-(4-hydroxy-3-methoxyphenyl)-2-oxoindolin-3-ylidene)methyl)-2-methylselenophene-3-carboxamide
CID 44184394
2-[(1S)-1-[[5-(4-hydroxy-3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 73776070
(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrol-3-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23646843
3-{[(3Z)-6-(4-hydroxy-3-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 23646844
(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 135678111
(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H-indol-3-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 10287456
3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 60155892
3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline
CID 118709500
N-[3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
CID 118709562
5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-(morpholine-4-carbonyl)aniline
CID 118709563

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one (CID 10215912) is (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one is COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2c[nH]c3ncccc23)ccc1O.
What is the InChIKey of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one?
The InChIKey is UVEHBAKIUGLPCL-NVMNQCDNSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-29-21-11-14(5-7-20(21)27)13-4-6-17-18(23(28)26-19(17)10-13)9-15-12-25-22-16(15)3-2-8-24-22/h2-12,27H,1H3,(H,24,25)(H,26,28)/b18-9-.
What are the key properties of (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one?
(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one has a molecular weight of 383.41 g/mol, XLogP of 4.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 10215912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).