(3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one

C20H17N3O3 — CID 136961556

IUPAC(3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one
SMILESCOc1ccc(-c2cc(/C=C3\C(=O)Nc4ccc(OC)cc43)[nH]n2)cc1
InChIInChI=1S/C20H17N3O3/c1-25-14-5-3-12(4-6-14)19-10-13(22-23-19)9-17-16-11-15(26-2)7-8-18(16)21-20(17)24/h3-11H,1-2H3,(H,21,24)(H,22,23)/b17-9-
InChIKeySQMNHDOHVIIMLZ-MFOYZWKCSA-N
MW347.37 g/mol
LogP3.59
Rot. Bonds4

About (3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one

(3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one (PubChem CID 136961556) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is (3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one
PubChem CID136961556
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name(3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one
SMILESCOc1ccc(-c2cc(/C=C3\C(=O)Nc4ccc(OC)cc43)[nH]n2)cc1
InChIInChI=1S/C20H17N3O3/c1-25-14-5-3-12(4-6-14)19-10-13(22-23-19)9-17-16-11-15(26-2)7-8-18(16)21-20(17)24/h3-11H,1-2H3,(H,21,24)(H,22,23)/b17-9-
InChIKeySQMNHDOHVIIMLZ-MFOYZWKCSA-N
XLogP3.59
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one (CID 136961556) is (3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one is COc1ccc(-c2cc(/C=C3\C(=O)Nc4ccc(OC)cc43)[nH]n2)cc1.
What is the InChIKey of (3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one?
The InChIKey is SQMNHDOHVIIMLZ-MFOYZWKCSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-25-14-5-3-12(4-6-14)19-10-13(22-23-19)9-17-16-11-15(26-2)7-8-18(16)21-20(17)24/h3-11H,1-2H3,(H,21,24)(H,22,23)/b17-9-.
What are the key properties of (3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one?
(3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one has a molecular weight of 347.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 136961556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).