1'-[6-(4-fluorophenoxy)pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]

C26H23FN4O — CID 146553824

IUPAC1'-[6-(4-fluorophenoxy)pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]
SMILESFc1ccc(Oc2ccc3nc(N4CCC5(CC4)Cc4ccccc4C5)cnc3n2)cc1
InChIInChI=1S/C26H23FN4O/c27-20-5-7-21(8-6-20)32-24-10-9-22-25(30-24)28-17-23(29-22)31-13-11-26(12-14-31)15-18-3-1-2-4-19(18)16-26/h1-10,17H,11-16H2
InChIKeyUGBRRDQWPJVVRO-UHFFFAOYSA-N
MW426.50 g/mol
LogP5.34
Rot. Bonds3

About 1'-[6-(4-fluorophenoxy)pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]

1'-[6-(4-fluorophenoxy)pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine] (PubChem CID 146553824) has the molecular formula C26H23FN4O and a molecular weight of 426.50 g/mol. Its IUPAC name is 1'-[6-(4-fluorophenoxy)pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine].

Molecular Properties

Compound Name1'-[6-(4-fluorophenoxy)pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]
PubChem CID146553824
Molecular FormulaC26H23FN4O
Molecular Weight426.50 g/mol
Exact Mass426.19
IUPAC Name1'-[6-(4-fluorophenoxy)pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]
SMILESFc1ccc(Oc2ccc3nc(N4CCC5(CC4)Cc4ccccc4C5)cnc3n2)cc1
InChIInChI=1S/C26H23FN4O/c27-20-5-7-21(8-6-20)32-24-10-9-22-25(30-24)28-17-23(29-22)31-13-11-26(12-14-31)15-18-3-1-2-4-19(18)16-26/h1-10,17H,11-16H2
InChIKeyUGBRRDQWPJVVRO-UHFFFAOYSA-N
XLogP5.34
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[6-(4-fluorophenoxy)pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-[6-(4-fluorophenoxy)pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]?
The IUPAC name of 1'-[6-(4-fluorophenoxy)pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine] (CID 146553824) is 1'-[6-(4-fluorophenoxy)pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine].
What is the SMILES notation for 1'-[6-(4-fluorophenoxy)pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]?
The canonical SMILES for 1'-[6-(4-fluorophenoxy)pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine] is Fc1ccc(Oc2ccc3nc(N4CCC5(CC4)Cc4ccccc4C5)cnc3n2)cc1.
What is the InChIKey of 1'-[6-(4-fluorophenoxy)pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]?
The InChIKey is UGBRRDQWPJVVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O/c27-20-5-7-21(8-6-20)32-24-10-9-22-25(30-24)28-17-23(29-22)31-13-11-26(12-14-31)15-18-3-1-2-4-19(18)16-26/h1-10,17H,11-16H2.
What are the key properties of 1'-[6-(4-fluorophenoxy)pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]?
1'-[6-(4-fluorophenoxy)pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine] has a molecular weight of 426.50 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[6-(4-fluorophenoxy)pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine] is sourced from PubChem (CID 146553824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).