8-fluoro-1'-(6-imidazol-1-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]

C20H20FN5O — CID 25253912

IUPAC8-fluoro-1'-(6-imidazol-1-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESFc1cccc2c1OC1(CC2)CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C20H20FN5O/c21-16-3-1-2-15-6-7-20(27-19(15)16)8-11-25(12-9-20)17-4-5-18(24-23-17)26-13-10-22-14-26/h1-5,10,13-14H,6-9,11-12H2
InChIKeyYOXFMLWLIZDSMV-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.17
Rot. Bonds2

About 8-fluoro-1'-(6-imidazol-1-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]

8-fluoro-1'-(6-imidazol-1-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine] (PubChem CID 25253912) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 8-fluoro-1'-(6-imidazol-1-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine].

Molecular Properties

Compound Name8-fluoro-1'-(6-imidazol-1-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]
PubChem CID25253912
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name8-fluoro-1'-(6-imidazol-1-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]
SMILESFc1cccc2c1OC1(CC2)CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C20H20FN5O/c21-16-3-1-2-15-6-7-20(27-19(15)16)8-11-25(12-9-20)17-4-5-18(24-23-17)26-13-10-22-14-26/h1-5,10,13-14H,6-9,11-12H2
InChIKeyYOXFMLWLIZDSMV-UHFFFAOYSA-N
XLogP3.17
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1'-(6-imidazol-1-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The IUPAC name of 8-fluoro-1'-(6-imidazol-1-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine] (CID 25253912) is 8-fluoro-1'-(6-imidazol-1-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine].
What is the SMILES notation for 8-fluoro-1'-(6-imidazol-1-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The canonical SMILES for 8-fluoro-1'-(6-imidazol-1-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine] is Fc1cccc2c1OC1(CC2)CCN(c2ccc(-n3ccnc3)nn2)CC1.
What is the InChIKey of 8-fluoro-1'-(6-imidazol-1-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
The InChIKey is YOXFMLWLIZDSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-16-3-1-2-15-6-7-20(27-19(15)16)8-11-25(12-9-20)17-4-5-18(24-23-17)26-13-10-22-14-26/h1-5,10,13-14H,6-9,11-12H2.
What are the key properties of 8-fluoro-1'-(6-imidazol-1-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]?
8-fluoro-1'-(6-imidazol-1-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine] has a molecular weight of 365.41 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1'-(6-imidazol-1-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine] is sourced from PubChem (CID 25253912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).