(3E)-3-[2-[3-(diethylamino)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one

C22H24FN3O2 — CID 24861512

IUPAC(3E)-3-[2-[3-(diethylamino)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one
SMILESCCN(CC)CCCc1ccc2c(n1)CO/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C22H24FN3O2/c1-3-26(4-2)11-5-6-15-8-9-16-19(24-15)13-28-21(16)20-17-12-14(23)7-10-18(17)25-22(20)27/h7-10,12H,3-6,11,13H2,1-2H3,(H,25,27)/b21-20+
InChIKeyQQUNXRNIVGDUPM-QZQOTICOSA-N
MW381.45 g/mol
LogP3.85
Rot. Bonds6

About (3E)-3-[2-[3-(diethylamino)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one

(3E)-3-[2-[3-(diethylamino)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one (PubChem CID 24861512) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is (3E)-3-[2-[3-(diethylamino)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[2-[3-(diethylamino)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one
PubChem CID24861512
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name(3E)-3-[2-[3-(diethylamino)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one
SMILESCCN(CC)CCCc1ccc2c(n1)CO/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C22H24FN3O2/c1-3-26(4-2)11-5-6-15-8-9-16-19(24-15)13-28-21(16)20-17-12-14(23)7-10-18(17)25-22(20)27/h7-10,12H,3-6,11,13H2,1-2H3,(H,25,27)/b21-20+
InChIKeyQQUNXRNIVGDUPM-QZQOTICOSA-N
XLogP3.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
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 (3E)-3-[2-[3-(diethylamino)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-[2-[3-(diethylamino)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one (CID 24861512) is (3E)-3-[2-[3-(diethylamino)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[2-[3-(diethylamino)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-[2-[3-(diethylamino)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one is CCN(CC)CCCc1ccc2c(n1)CO/C2=C1/C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (3E)-3-[2-[3-(diethylamino)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one?
The InChIKey is QQUNXRNIVGDUPM-QZQOTICOSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-3-26(4-2)11-5-6-15-8-9-16-19(24-15)13-28-21(16)20-17-12-14(23)7-10-18(17)25-22(20)27/h7-10,12H,3-6,11,13H2,1-2H3,(H,25,27)/b21-20+.
What are the key properties of (3E)-3-[2-[3-(diethylamino)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one?
(3E)-3-[2-[3-(diethylamino)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 381.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[2-[3-(diethylamino)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 24861512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).