3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide

C24H21N3O5 — CID 46235884

IUPAC3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide
SMILESCOc1cc(-c2cnc3c(c2)/C(=C/c2cccc(C(N)=O)c2)C(=O)N3)cc(OC)c1OC
InChIInChI=1S/C24H21N3O5/c1-30-19-10-15(11-20(31-2)21(19)32-3)16-9-17-18(24(29)27-23(17)26-12-16)8-13-5-4-6-14(7-13)22(25)28/h4-12H,1-3H3,(H2,25,28)(H,26,27,29)/b18-8-
InChIKeyBODYCSYFOVDCON-LSCVHKIXSA-N
MW431.45 g/mol
LogP3.37
Rot. Bonds6

About 3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide

3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide (PubChem CID 46235884) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is 3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide.

Molecular Properties

Compound Name3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide
PubChem CID46235884
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide
SMILESCOc1cc(-c2cnc3c(c2)/C(=C/c2cccc(C(N)=O)c2)C(=O)N3)cc(OC)c1OC
InChIInChI=1S/C24H21N3O5/c1-30-19-10-15(11-20(31-2)21(19)32-3)16-9-17-18(24(29)27-23(17)26-12-16)8-13-5-4-6-14(7-13)22(25)28/h4-12H,1-3H3,(H2,25,28)(H,26,27,29)/b18-8-
InChIKeyBODYCSYFOVDCON-LSCVHKIXSA-N
XLogP3.37
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.37
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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Related Compounds

(3E)-3-(pyridin-3-ylmethylidene)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-one
CID 66779255
4-(3,4,5-trimethoxyphenyl)benzamide
CID 39746262
3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
CID 43056910
(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-one
CID 67559789
3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol
CID 126672824
5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 3450009
3-(2,3,4-trimethoxyphenyl)benzamide
CID 174562773
5-[(2-phenylpyrimidin-5-yl)methylidene]-1-(3,4,5-trimethoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1343883
4-[[6-oxo-3-(3,4,5-trimethoxyphenyl)-5,7-dihydrocyclopenta[b]pyridin-5-yl]methyl]benzamide
CID 146729749
2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide
CID 964213
(3E)-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-one
CID 67559830
(3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 92962049

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide?
The IUPAC name of 3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide (CID 46235884) is 3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide.
What is the SMILES notation for 3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide?
The canonical SMILES for 3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide is COc1cc(-c2cnc3c(c2)/C(=C/c2cccc(C(N)=O)c2)C(=O)N3)cc(OC)c1OC.
What is the InChIKey of 3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide?
The InChIKey is BODYCSYFOVDCON-LSCVHKIXSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-30-19-10-15(11-20(31-2)21(19)32-3)16-9-17-18(24(29)27-23(17)26-12-16)8-13-5-4-6-14(7-13)22(25)28/h4-12H,1-3H3,(H2,25,28)(H,26,27,29)/b18-8-.
What are the key properties of 3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide?
3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide has a molecular weight of 431.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[2-oxo-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-ylidene]methyl]benzamide is sourced from PubChem (CID 46235884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).