1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one

C23H20FN3O2 — CID 108774352

IUPAC1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)Oc2ccccc21
InChIInChI=1S/C23H20FN3O2/c24-17-7-5-16(6-8-17)19-9-10-22(26-25-19)27-13-11-23(12-14-27)15-20(28)18-3-1-2-4-21(18)29-23/h1-10H,11-15H2
InChIKeyFBGYKZYPOUIVDX-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.29
Rot. Bonds2

About 1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one

1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108774352) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108774352
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)Oc2ccccc21
InChIInChI=1S/C23H20FN3O2/c24-17-7-5-16(6-8-17)19-9-10-22(26-25-19)27-13-11-23(12-14-27)15-20(28)18-3-1-2-4-21(18)29-23/h1-10H,11-15H2
InChIKeyFBGYKZYPOUIVDX-UHFFFAOYSA-N
XLogP4.29
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[6-(4-fluorophenyl)pyridazin-3-yl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108776343
7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774888
6-chloro-5,7-dimethyl-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774755
6-chloro-1'-[6-(4-methoxyphenyl)pyridazin-3-yl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774758
1'-(6-pyridin-3-ylpyridazin-3-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 90872781
1'-[4-(4-fluorophenyl)-1H-pyrrole-2-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586212
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260607
N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide
CID 54242450
1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114671516
1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 18573660
6-methoxy-1'-(6-methylpyridazin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774848

Frequently Asked Questions

What is the IUPAC name of 1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108774352) is 1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is FBGYKZYPOUIVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c24-17-7-5-16(6-8-17)19-9-10-22(26-25-19)27-13-11-23(12-14-27)15-20(28)18-3-1-2-4-21(18)29-23/h1-10H,11-15H2.
What are the key properties of 1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 389.43 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108774352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).