6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one

C28H26F2N2OS — CID 58060679

IUPAC6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESCc1cc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H26F2N2OS/c1-19-18-26-32(16-17-34-26)28(33)25(19)12-15-31-13-10-22(11-14-31)27(20-2-6-23(29)7-3-20)21-4-8-24(30)9-5-21/h2-9,16-18H,10-15H2,1H3
InChIKeyHFQVJEGLYBEUIV-UHFFFAOYSA-N
MW476.59 g/mol
LogP6.09
Rot. Bonds5

About 6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one

6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one (PubChem CID 58060679) has the molecular formula C28H26F2N2OS and a molecular weight of 476.59 g/mol. Its IUPAC name is 6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one.

Molecular Properties

Compound Name6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one
PubChem CID58060679
Molecular FormulaC28H26F2N2OS
Molecular Weight476.59 g/mol
Exact Mass476.17
IUPAC Name6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESCc1cc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C28H26F2N2OS/c1-19-18-26-32(16-17-34-26)28(33)25(19)12-15-31-13-10-22(11-14-31)27(20-2-6-23(29)7-3-20)21-4-8-24(30)9-5-21/h2-9,16-18H,10-15H2,1H3
InChIKeyHFQVJEGLYBEUIV-UHFFFAOYSA-N
XLogP6.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.59
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methyl-4-oxo-1H-imidazo[1,5-a]pyrimidine-8-carbonitrile;hydrochloride
CID 19915778
4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine
CID 123768930
4-[4-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]butyl]-7-methyl-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-one
CID 19881077
4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine
CID 22622561
5-[4-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]butyl]-2-methyl-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one;but-2-enedioic acid
CID 67755562
1-[2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;oxalic acid
CID 21471950
9-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 67722218
N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
CID 10598845
N-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide
CID 22622593
4-[3-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]propyl]-2-nitroaniline
CID 142881602
2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-one;methanol;hydrochloride
CID 172785637
4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine
CID 21478599

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one?
The IUPAC name of 6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one (CID 58060679) is 6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one.
What is the SMILES notation for 6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one?
The canonical SMILES for 6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one is Cc1cc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one?
The InChIKey is HFQVJEGLYBEUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N2OS/c1-19-18-26-32(16-17-34-26)28(33)25(19)12-15-31-13-10-22(11-14-31)27(20-2-6-23(29)7-3-20)21-4-8-24(30)9-5-21/h2-9,16-18H,10-15H2,1H3.
What are the key properties of 6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one?
6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one has a molecular weight of 476.59 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one is sourced from PubChem (CID 58060679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).