(3E)-3-[7-chloro-6-(2-morpholin-4-ylethylamino)-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one

C24H26ClFN4O3 — CID 58478807

IUPAC(3E)-3-[7-chloro-6-(2-morpholin-4-ylethylamino)-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one
SMILESCCCC1O/C(=C2/C(=O)Nc3ccc(F)cc32)c2cnc(NCCN3CCOCC3)c(Cl)c21
InChIInChI=1S/C24H26ClFN4O3/c1-2-3-18-19-16(13-28-23(21(19)25)27-6-7-30-8-10-32-11-9-30)22(33-18)20-15-12-14(26)4-5-17(15)29-24(20)31/h4-5,12-13,18H,2-3,6-11H2,1H3,(H,27,28)(H,29,31)/b22-20+
InChIKeyUVIDDFRXBXAASL-LSDHQDQOSA-N
MW472.95 g/mol
LogP4.31
Rot. Bonds6

About (3E)-3-[7-chloro-6-(2-morpholin-4-ylethylamino)-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one

(3E)-3-[7-chloro-6-(2-morpholin-4-ylethylamino)-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one (PubChem CID 58478807) has the molecular formula C24H26ClFN4O3 and a molecular weight of 472.95 g/mol. Its IUPAC name is (3E)-3-[7-chloro-6-(2-morpholin-4-ylethylamino)-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[7-chloro-6-(2-morpholin-4-ylethylamino)-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one
PubChem CID58478807
Molecular FormulaC24H26ClFN4O3
Molecular Weight472.95 g/mol
Exact Mass472.17
IUPAC Name(3E)-3-[7-chloro-6-(2-morpholin-4-ylethylamino)-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one
SMILESCCCC1O/C(=C2/C(=O)Nc3ccc(F)cc32)c2cnc(NCCN3CCOCC3)c(Cl)c21
InChIInChI=1S/C24H26ClFN4O3/c1-2-3-18-19-16(13-28-23(21(19)25)27-6-7-30-8-10-32-11-9-30)22(33-18)20-15-12-14(26)4-5-17(15)29-24(20)31/h4-5,12-13,18H,2-3,6-11H2,1H3,(H,27,28)(H,29,31)/b22-20+
InChIKeyUVIDDFRXBXAASL-LSDHQDQOSA-N
XLogP4.31
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.95
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3E)-3-[7-chloro-6-(2-morpholin-4-ylethylamino)-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[7-chloro-6-(2-morpholin-4-ylethylamino)-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-[7-chloro-6-(2-morpholin-4-ylethylamino)-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one (CID 58478807) is (3E)-3-[7-chloro-6-(2-morpholin-4-ylethylamino)-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[7-chloro-6-(2-morpholin-4-ylethylamino)-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-[7-chloro-6-(2-morpholin-4-ylethylamino)-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one is CCCC1O/C(=C2/C(=O)Nc3ccc(F)cc32)c2cnc(NCCN3CCOCC3)c(Cl)c21.
What is the InChIKey of (3E)-3-[7-chloro-6-(2-morpholin-4-ylethylamino)-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one?
The InChIKey is UVIDDFRXBXAASL-LSDHQDQOSA-N. The full InChI is InChI=1S/C24H26ClFN4O3/c1-2-3-18-19-16(13-28-23(21(19)25)27-6-7-30-8-10-32-11-9-30)22(33-18)20-15-12-14(26)4-5-17(15)29-24(20)31/h4-5,12-13,18H,2-3,6-11H2,1H3,(H,27,28)(H,29,31)/b22-20+.
What are the key properties of (3E)-3-[7-chloro-6-(2-morpholin-4-ylethylamino)-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one?
(3E)-3-[7-chloro-6-(2-morpholin-4-ylethylamino)-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 472.95 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[7-chloro-6-(2-morpholin-4-ylethylamino)-1-propyl-1H-furo[3,4-c]pyridin-3-ylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 58478807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).