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

C19H15ClFN3O3 — CID 58478738

IUPAC(3E)-3-(7-chloro-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C1\OCc2c1cnc(N1CCOCC1)c2Cl
InChIInChI=1S/C19H15ClFN3O3/c20-16-13-9-27-17(12(13)8-22-18(16)24-3-5-26-6-4-24)15-11-7-10(21)1-2-14(11)23-19(15)25/h1-2,7-8H,3-6,9H2,(H,23,25)/b17-15+
InChIKeyKDANCZCRHINZBI-BMRADRMJSA-N
MW387.80 g/mol
LogP3.06
Rot. Bonds1

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

(3E)-3-(7-chloro-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one (PubChem CID 58478738) has the molecular formula C19H15ClFN3O3 and a molecular weight of 387.80 g/mol. Its IUPAC name is (3E)-3-(7-chloro-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-(7-chloro-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one
PubChem CID58478738
Molecular FormulaC19H15ClFN3O3
Molecular Weight387.80 g/mol
Exact Mass387.08
IUPAC Name(3E)-3-(7-chloro-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C1\OCc2c1cnc(N1CCOCC1)c2Cl
InChIInChI=1S/C19H15ClFN3O3/c20-16-13-9-27-17(12(13)8-22-18(16)24-3-5-26-6-4-24)15-11-7-10(21)1-2-14(11)23-19(15)25/h1-2,7-8H,3-6,9H2,(H,23,25)/b17-15+
InChIKeyKDANCZCRHINZBI-BMRADRMJSA-N
XLogP3.06
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 53.06
H-Bond Donors ≤ 51
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 (3E)-3-(7-chloro-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-(7-chloro-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one (CID 58478738) is (3E)-3-(7-chloro-6-morpholin-4-yl-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-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-(7-chloro-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C1\OCc2c1cnc(N1CCOCC1)c2Cl.
What is the InChIKey of (3E)-3-(7-chloro-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one?
The InChIKey is KDANCZCRHINZBI-BMRADRMJSA-N. The full InChI is InChI=1S/C19H15ClFN3O3/c20-16-13-9-27-17(12(13)8-22-18(16)24-3-5-26-6-4-24)15-11-7-10(21)1-2-14(11)23-19(15)25/h1-2,7-8H,3-6,9H2,(H,23,25)/b17-15+.
What are the key properties of (3E)-3-(7-chloro-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one?
(3E)-3-(7-chloro-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one has a molecular weight of 387.80 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(7-chloro-6-morpholin-4-yl-1H-furo[3,4-c]pyridin-3-ylidene)-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 58478738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).