(3Z)-4-fluoro-3-[(2-morpholin-4-yl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one

C19H21FN4O3 — CID 71154926

IUPAC(3Z)-4-fluoro-3-[(2-morpholin-4-yl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one
SMILESCC(C)Oc1ccc2c(c1F)/C(=C/c1cnc(N3CCOCC3)[nH]1)C(=O)N2
InChIInChI=1S/C19H21FN4O3/c1-11(2)27-15-4-3-14-16(17(15)20)13(18(25)23-14)9-12-10-21-19(22-12)24-5-7-26-8-6-24/h3-4,9-11H,5-8H2,1-2H3,(H,21,22)(H,23,25)/b13-9-
InChIKeyAYBFLDDCCCSDCS-LCYFTJDESA-N
MW372.40 g/mol
LogP2.67
Rot. Bonds4

About (3Z)-4-fluoro-3-[(2-morpholin-4-yl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one

(3Z)-4-fluoro-3-[(2-morpholin-4-yl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one (PubChem CID 71154926) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is (3Z)-4-fluoro-3-[(2-morpholin-4-yl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-4-fluoro-3-[(2-morpholin-4-yl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one
PubChem CID71154926
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name(3Z)-4-fluoro-3-[(2-morpholin-4-yl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one
SMILESCC(C)Oc1ccc2c(c1F)/C(=C/c1cnc(N3CCOCC3)[nH]1)C(=O)N2
InChIInChI=1S/C19H21FN4O3/c1-11(2)27-15-4-3-14-16(17(15)20)13(18(25)23-14)9-12-10-21-19(22-12)24-5-7-26-8-6-24/h3-4,9-11H,5-8H2,1-2H3,(H,21,22)(H,23,25)/b13-9-
InChIKeyAYBFLDDCCCSDCS-LCYFTJDESA-N
XLogP2.67
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-4-fluoro-3-[(2-morpholin-4-yl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one?
The IUPAC name of (3Z)-4-fluoro-3-[(2-morpholin-4-yl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one (CID 71154926) is (3Z)-4-fluoro-3-[(2-morpholin-4-yl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one.
What is the SMILES notation for (3Z)-4-fluoro-3-[(2-morpholin-4-yl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one?
The canonical SMILES for (3Z)-4-fluoro-3-[(2-morpholin-4-yl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one is CC(C)Oc1ccc2c(c1F)/C(=C/c1cnc(N3CCOCC3)[nH]1)C(=O)N2.
What is the InChIKey of (3Z)-4-fluoro-3-[(2-morpholin-4-yl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one?
The InChIKey is AYBFLDDCCCSDCS-LCYFTJDESA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-11(2)27-15-4-3-14-16(17(15)20)13(18(25)23-14)9-12-10-21-19(22-12)24-5-7-26-8-6-24/h3-4,9-11H,5-8H2,1-2H3,(H,21,22)(H,23,25)/b13-9-.
What are the key properties of (3Z)-4-fluoro-3-[(2-morpholin-4-yl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one?
(3Z)-4-fluoro-3-[(2-morpholin-4-yl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one has a molecular weight of 372.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-fluoro-3-[(2-morpholin-4-yl-1H-imidazol-5-yl)methylidene]-5-propan-2-yloxy-1H-indol-2-one is sourced from PubChem (CID 71154926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).