1-(4-fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one

C20H20FN3OS — CID 147732024

IUPAC1-(4-fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one
SMILESO=C(Cc1cc2cc(-c3cncs3)ccc2cn1)CN1CCC(F)CC1
InChIInChI=1S/C20H20FN3OS/c21-17-3-5-24(6-4-17)12-19(25)9-18-8-16-7-14(20-11-22-13-26-20)1-2-15(16)10-23-18/h1-2,7-8,10-11,13,17H,3-6,9,12H2
InChIKeyGYPRTSAHLXDWOP-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.90
Rot. Bonds5

About 1-(4-fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one

1-(4-fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one (PubChem CID 147732024) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(4-fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-(4-fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one
PubChem CID147732024
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name1-(4-fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one
SMILESO=C(Cc1cc2cc(-c3cncs3)ccc2cn1)CN1CCC(F)CC1
InChIInChI=1S/C20H20FN3OS/c21-17-3-5-24(6-4-17)12-19(25)9-18-8-16-7-14(20-11-22-13-26-20)1-2-15(16)10-23-18/h1-2,7-8,10-11,13,17H,3-6,9,12H2
InChIKeyGYPRTSAHLXDWOP-UHFFFAOYSA-N
XLogP3.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Phenyl-1-(5-(pyridin-2-yl)-thiazol-2-yl)-heptan-1-one
CID 24950364
2-[5-(3-Fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11166285
2-[5-(3-Fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11166286
2-[5-(3-fluoro-5-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11177087
2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11292543
2-[5-(3-Fluoro-5-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 11316345
2-[5-(3-fluoro-5-pyridin-2-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
CID 11361614
7,7-Dimethyl-2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-6,8-dihydroquinolin-5-one
CID 11612676
2-[5-(3-Fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one
CID 11711646
2-[5-(3-Fluoro-5-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one
CID 11718918
2-(2,6-Difluorophenyl)-1-(13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone
CID 58164598
2-(2,4-Difluorophenyl)-1-(13-pyridin-3-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone
CID 58164671

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one?
The IUPAC name of 1-(4-fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one (CID 147732024) is 1-(4-fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one.
What is the SMILES notation for 1-(4-fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one?
The canonical SMILES for 1-(4-fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one is O=C(Cc1cc2cc(-c3cncs3)ccc2cn1)CN1CCC(F)CC1.
What is the InChIKey of 1-(4-fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one?
The InChIKey is GYPRTSAHLXDWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c21-17-3-5-24(6-4-17)12-19(25)9-18-8-16-7-14(20-11-22-13-26-20)1-2-15(16)10-23-18/h1-2,7-8,10-11,13,17H,3-6,9,12H2.
What are the key properties of 1-(4-fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one?
1-(4-fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one has a molecular weight of 369.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoropiperidin-1-yl)-3-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]propan-2-one is sourced from PubChem (CID 147732024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).