[2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone

C23H29FN4O3S — CID 71252952

IUPAC[2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cc(C)c(N2CCN(C(=O)c3ccc(N4[C@H](C)CCS4(=O)=O)cc3F)CC2)nc1C
InChIInChI=1S/C23H29FN4O3S/c1-15-13-16(2)22(25-18(15)4)26-8-10-27(11-9-26)23(29)20-6-5-19(14-21(20)24)28-17(3)7-12-32(28,30)31/h5-6,13-14,17H,7-12H2,1-4H3/t17-/m1/s1
InChIKeyFZFNOWYFXXBLJU-QGZVFWFLSA-N
MW460.58 g/mol
LogP3.04
Rot. Bonds3

About [2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone

[2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 71252952) has the molecular formula C23H29FN4O3S and a molecular weight of 460.58 g/mol. Its IUPAC name is [2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID71252952
Molecular FormulaC23H29FN4O3S
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC Name[2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cc(C)c(N2CCN(C(=O)c3ccc(N4[C@H](C)CCS4(=O)=O)cc3F)CC2)nc1C
InChIInChI=1S/C23H29FN4O3S/c1-15-13-16(2)22(25-18(15)4)26-8-10-27(11-9-26)23(29)20-6-5-19(14-21(20)24)28-17(3)7-12-32(28,30)31/h5-6,13-14,17H,7-12H2,1-4H3/t17-/m1/s1
InChIKeyFZFNOWYFXXBLJU-QGZVFWFLSA-N
XLogP3.04
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone;hydrochloride
CID 71252830
1-acetyl-3-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 71252145
(5S)-5-[3-fluoro-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 134494842
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 71252205
(4-bromo-2-methylphenyl)-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone
CID 58484748
4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 67381355
5-methyl-5-[3-methyl-4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494886
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-3-methylimidazolidin-2-one
CID 71252506
(4S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]-4-methylimidazolidin-2-one
CID 71252397
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-methylimidazolidine-2,4-dione
CID 71252581
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone
CID 71252432
(5S)-5-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 58484501

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone (CID 71252952) is [2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone is Cc1cc(C)c(N2CCN(C(=O)c3ccc(N4[C@H](C)CCS4(=O)=O)cc3F)CC2)nc1C.
What is the InChIKey of [2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is FZFNOWYFXXBLJU-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29FN4O3S/c1-15-13-16(2)22(25-18(15)4)26-8-10-27(11-9-26)23(29)20-6-5-19(14-21(20)24)28-17(3)7-12-32(28,30)31/h5-6,13-14,17H,7-12H2,1-4H3/t17-/m1/s1.
What are the key properties of [2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone?
[2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 460.58 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-[(3R)-3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]-[4-(3,5,6-trimethyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71252952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).