(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-2-one

C24H23N3O2 — CID 122182249

IUPAC(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-2-one
SMILESCOc1ccc(CN2C(=O)/C(=C\c3ccc(N(C)C)cc3)c3cccnc32)cc1
InChIInChI=1S/C24H23N3O2/c1-26(2)19-10-6-17(7-11-19)15-22-21-5-4-14-25-23(21)27(24(22)28)16-18-8-12-20(29-3)13-9-18/h4-15H,16H2,1-3H3/b22-15-
InChIKeyGSUBUNWWDGQVJY-JCMHNJIXSA-N
MW385.47 g/mol
LogP4.24
Rot. Bonds5

About (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-2-one

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-2-one (PubChem CID 122182249) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-2-one
PubChem CID122182249
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-2-one
SMILESCOc1ccc(CN2C(=O)/C(=C\c3ccc(N(C)C)cc3)c3cccnc32)cc1
InChIInChI=1S/C24H23N3O2/c1-26(2)19-10-6-17(7-11-19)15-22-21-5-4-14-25-23(21)27(24(22)28)16-18-8-12-20(29-3)13-9-18/h4-15H,16H2,1-3H3/b22-15-
InChIKeyGSUBUNWWDGQVJY-JCMHNJIXSA-N
XLogP4.24
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-2-one (CID 122182249) is (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-2-one is COc1ccc(CN2C(=O)/C(=C\c3ccc(N(C)C)cc3)c3cccnc32)cc1.
What is the InChIKey of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is GSUBUNWWDGQVJY-JCMHNJIXSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-26(2)19-10-6-17(7-11-19)15-22-21-5-4-14-25-23(21)27(24(22)28)16-18-8-12-20(29-3)13-9-18/h4-15H,16H2,1-3H3/b22-15-.
What are the key properties of (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-2-one?
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 385.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 122182249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).