(3E)-6-fluoro-3-[4-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one

C24H24FN3O4 — CID 24968430

IUPAC(3E)-6-fluoro-3-[4-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one
SMILESCC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1c1ccc(N2CCOC(CO)C2)nc1
InChIInChI=1S/C24H24FN3O4/c1-24(2)18(14-3-6-21(26-11-14)28-7-8-31-16(12-28)13-29)10-20(32-24)22-17-5-4-15(25)9-19(17)27-23(22)30/h3-6,9-11,16,29H,7-8,12-13H2,1-2H3,(H,27,30)/b22-20+
InChIKeyTUNKVYNNONMGPX-LSDHQDQOSA-N
MW437.47 g/mol
LogP2.97
Rot. Bonds3

About (3E)-6-fluoro-3-[4-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one

(3E)-6-fluoro-3-[4-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one (PubChem CID 24968430) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is (3E)-6-fluoro-3-[4-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-fluoro-3-[4-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one
PubChem CID24968430
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name(3E)-6-fluoro-3-[4-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one
SMILESCC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1c1ccc(N2CCOC(CO)C2)nc1
InChIInChI=1S/C24H24FN3O4/c1-24(2)18(14-3-6-21(26-11-14)28-7-8-31-16(12-28)13-29)10-20(32-24)22-17-5-4-15(25)9-19(17)27-23(22)30/h3-6,9-11,16,29H,7-8,12-13H2,1-2H3,(H,27,30)/b22-20+
InChIKeyTUNKVYNNONMGPX-LSDHQDQOSA-N
XLogP2.97
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of (3E)-6-fluoro-3-[4-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one?
The IUPAC name of (3E)-6-fluoro-3-[4-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one (CID 24968430) is (3E)-6-fluoro-3-[4-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-6-fluoro-3-[4-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-6-fluoro-3-[4-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one is CC1(C)O/C(=C2/C(=O)Nc3cc(F)ccc32)C=C1c1ccc(N2CCOC(CO)C2)nc1.
What is the InChIKey of (3E)-6-fluoro-3-[4-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one?
The InChIKey is TUNKVYNNONMGPX-LSDHQDQOSA-N. The full InChI is InChI=1S/C24H24FN3O4/c1-24(2)18(14-3-6-21(26-11-14)28-7-8-31-16(12-28)13-29)10-20(32-24)22-17-5-4-15(25)9-19(17)27-23(22)30/h3-6,9-11,16,29H,7-8,12-13H2,1-2H3,(H,27,30)/b22-20+.
What are the key properties of (3E)-6-fluoro-3-[4-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one?
(3E)-6-fluoro-3-[4-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one has a molecular weight of 437.47 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-fluoro-3-[4-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one is sourced from PubChem (CID 24968430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).