1-[3-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]propyl]piperidine-4-carboxylic acid

C24H24FN3O4 — CID 67314384

IUPAC1-[3-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]propyl]piperidine-4-carboxylic acid
SMILESO=C1Nc2ccc(F)cc2/C1=C1/OCc2nc(CCCN3CCC(C(=O)O)CC3)ccc21
InChIInChI=1S/C24H24FN3O4/c25-15-3-6-19-18(12-15)21(23(29)27-19)22-17-5-4-16(26-20(17)13-32-22)2-1-9-28-10-7-14(8-11-28)24(30)31/h3-6,12,14H,1-2,7-11,13H2,(H,27,29)(H,30,31)/b22-21-
InChIKeyHHAUDMKHHAEZFC-DQRAZIAOSA-N
MW437.47 g/mol
LogP3.30
Rot. Bonds5

About 1-[3-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]propyl]piperidine-4-carboxylic acid

1-[3-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]propyl]piperidine-4-carboxylic acid (PubChem CID 67314384) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is 1-[3-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]propyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]propyl]piperidine-4-carboxylic acid
PubChem CID67314384
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name1-[3-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]propyl]piperidine-4-carboxylic acid
SMILESO=C1Nc2ccc(F)cc2/C1=C1/OCc2nc(CCCN3CCC(C(=O)O)CC3)ccc21
InChIInChI=1S/C24H24FN3O4/c25-15-3-6-19-18(12-15)21(23(29)27-19)22-17-5-4-16(26-20(17)13-32-22)2-1-9-28-10-7-14(8-11-28)24(30)31/h3-6,12,14H,1-2,7-11,13H2,(H,27,29)(H,30,31)/b22-21-
InChIKeyHHAUDMKHHAEZFC-DQRAZIAOSA-N
XLogP3.30
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[3-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]propyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

(3Z)-5-fluoro-3-[2-[3-(4-methylpiperazin-1-yl)propyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
CID 67315204
(3E)-5-fluoro-3-[2-[2-(4-hydroxypiperidin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
CID 58478778
ethyl 1-[2-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]ethyl]piperidine-4-carboxylate
CID 67314271
5-fluoro-3-[2-[(4-hydroxypiperidin-1-yl)methyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
CID 67314182
(3E)-5-fluoro-3-[2-[2-(3-methoxypiperidin-1-yl)ethyl]-7H-furo[3,4-b]pyridin-5-ylidene]-1H-indol-2-one
CID 58478825
5-fluoro-3-[5-[2-(2-pyrrolidin-1-ylethylamino)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 68993944
(3E)-5-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)ethylamino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 10250887
(3Z)-5-fluoro-3-[5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,3-dimethyl-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 44538522
5-fluoro-3-[5-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 68994920
N,N-diethyl-1-[2-[1-(5-fluoro-2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]ethyl]piperidine-3-carboxamide
CID 68994877
5-fluoro-3-[5-[2-(3-methylpiperidin-1-yl)ethyl]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 91807979
4-[3-[1-(5-fluoro-2-oxo-1H-indol-3-ylidene)-3H-2-benzofuran-5-yl]propoxy]-4-oxobutanoic acid
CID 91283881

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]propyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]propyl]piperidine-4-carboxylic acid (CID 67314384) is 1-[3-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]propyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]propyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]propyl]piperidine-4-carboxylic acid is O=C1Nc2ccc(F)cc2/C1=C1/OCc2nc(CCCN3CCC(C(=O)O)CC3)ccc21.
What is the InChIKey of 1-[3-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]propyl]piperidine-4-carboxylic acid?
The InChIKey is HHAUDMKHHAEZFC-DQRAZIAOSA-N. The full InChI is InChI=1S/C24H24FN3O4/c25-15-3-6-19-18(12-15)21(23(29)27-19)22-17-5-4-16(26-20(17)13-32-22)2-1-9-28-10-7-14(8-11-28)24(30)31/h3-6,12,14H,1-2,7-11,13H2,(H,27,29)(H,30,31)/b22-21-.
What are the key properties of 1-[3-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]propyl]piperidine-4-carboxylic acid?
1-[3-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]propyl]piperidine-4-carboxylic acid has a molecular weight of 437.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5Z)-5-(5-fluoro-2-oxo-1H-indol-3-ylidene)-7H-furo[3,4-b]pyridin-2-yl]propyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 67314384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).