(4R)-1-[3-(2-fluoro-4-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

C24H24FN5O2S — CID 165412132

IUPAC(4R)-1-[3-(2-fluoro-4-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCc1ccnc(F)c1-c1cccc(N2C[C@H](N3CCN(C(=O)c4nccs4)CC3)CC2=O)c1
InChIInChI=1S/C24H24FN5O2S/c1-16-5-6-26-22(25)21(16)17-3-2-4-18(13-17)30-15-19(14-20(30)31)28-8-10-29(11-9-28)24(32)23-27-7-12-33-23/h2-7,12-13,19H,8-11,14-15H2,1H3/t19-/m1/s1
InChIKeyBSDIMVPELJZNRU-LJQANCHMSA-N
MW465.55 g/mol
LogP3.22
Rot. Bonds4

About (4R)-1-[3-(2-fluoro-4-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

(4R)-1-[3-(2-fluoro-4-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 165412132) has the molecular formula C24H24FN5O2S and a molecular weight of 465.55 g/mol. Its IUPAC name is (4R)-1-[3-(2-fluoro-4-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[3-(2-fluoro-4-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID165412132
Molecular FormulaC24H24FN5O2S
Molecular Weight465.55 g/mol
Exact Mass465.16
IUPAC Name(4R)-1-[3-(2-fluoro-4-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCc1ccnc(F)c1-c1cccc(N2C[C@H](N3CCN(C(=O)c4nccs4)CC3)CC2=O)c1
InChIInChI=1S/C24H24FN5O2S/c1-16-5-6-26-22(25)21(16)17-3-2-4-18(13-17)30-15-19(14-20(30)31)28-8-10-29(11-9-28)24(32)23-27-7-12-33-23/h2-7,12-13,19H,8-11,14-15H2,1H3/t19-/m1/s1
InChIKeyBSDIMVPELJZNRU-LJQANCHMSA-N
XLogP3.22
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 122653897
CID 122653897
CID 156906925
CID 156906925
CID 118196759
CID 118196759
CID 118196917
CID 118196917
CID 122653949
CID 122653949
CID 122653972
CID 122653972
CID 122653979
CID 122653979
CID 122653997
CID 122653997
CID 122654040
CID 122654040
CID 122659523
CID 122659523
CID 56670441
CID 56670441
CID 56673926
CID 56673926

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[3-(2-fluoro-4-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-[3-(2-fluoro-4-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 165412132) is (4R)-1-[3-(2-fluoro-4-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[3-(2-fluoro-4-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[3-(2-fluoro-4-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is Cc1ccnc(F)c1-c1cccc(N2C[C@H](N3CCN(C(=O)c4nccs4)CC3)CC2=O)c1.
What is the InChIKey of (4R)-1-[3-(2-fluoro-4-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is BSDIMVPELJZNRU-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24FN5O2S/c1-16-5-6-26-22(25)21(16)17-3-2-4-18(13-17)30-15-19(14-20(30)31)28-8-10-29(11-9-28)24(32)23-27-7-12-33-23/h2-7,12-13,19H,8-11,14-15H2,1H3/t19-/m1/s1.
What are the key properties of (4R)-1-[3-(2-fluoro-4-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
(4R)-1-[3-(2-fluoro-4-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 465.55 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[3-(2-fluoro-4-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 165412132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).