2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone

C24H28FN5O2S — CID 90617773

IUPAC2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESO=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C24H28FN5O2S/c25-20-3-1-18(2-4-20)19-15-27-30(16-19)17-23(31)29-10-5-21(6-11-29)28-12-7-22(8-13-28)32-24-26-9-14-33-24/h1-4,9,14-16,21-22H,5-8,10-13,17H2
InChIKeyBMQOMUBQSXTQIO-UHFFFAOYSA-N
MW469.59 g/mol
LogP3.68
Rot. Bonds6

About 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone

2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 90617773) has the molecular formula C24H28FN5O2S and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID90617773
Molecular FormulaC24H28FN5O2S
Molecular Weight469.59 g/mol
Exact Mass469.19
IUPAC Name2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESO=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1
InChIInChI=1S/C24H28FN5O2S/c25-20-3-1-18(2-4-20)19-15-27-30(16-19)17-23(31)29-10-5-21(6-11-29)28-12-7-22(8-13-28)32-24-26-9-14-33-24/h1-4,9,14-16,21-22H,5-8,10-13,17H2
InChIKeyBMQOMUBQSXTQIO-UHFFFAOYSA-N
XLogP3.68
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-3-[[2-[4-(3-fluorophenyl)pyrazol-1-yl]acetyl]amino]-2-oxo-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 176455956
(3R)-3-[[2-[4-(6-fluoro-3-pyridinyl)pyrazol-1-yl]acetyl]amino]-2-oxo-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 176455957
(3R)-3-[[2-[4-(3,4-difluorophenyl)pyrazol-1-yl]acetyl]amino]-2-oxo-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 176455965
(3R)-3-[[2-[4-(3,5-difluorophenyl)pyrazol-1-yl]acetyl]amino]-2-oxo-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 176455966
(3R)-2-oxo-4-phenyl-N-(1,3-thiazol-2-ylmethyl)-3-[[2-[4-(3,4,5-trifluorophenyl)pyrazol-1-yl]acetyl]amino]butanamide
CID 176455967
(3R)-2-oxo-4-phenyl-N-(1,3-thiazol-2-ylmethyl)-3-[[2-[4-(2,3,6-trifluorophenyl)pyrazol-1-yl]acetyl]amino]butanamide
CID 176455968
(3R)-2-oxo-4-phenyl-N-(1,3-thiazol-2-ylmethyl)-3-[[2-[4-(2,4,5-trifluorophenyl)pyrazol-1-yl]acetyl]amino]butanamide
CID 176455969
(3R)-3-[[2-[4-(2,5-difluorophenyl)pyrazol-1-yl]acetyl]amino]-2-oxo-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 176455970
(3R)-3-[[2-[4-(3-fluorophenyl)pyrazol-1-yl]-2-methylpropanoyl]amino]-2-oxo-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 176455987
2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 89608027
2-[3-(4-fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 89608042
2-[3-(4-Fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 89608047

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone (CID 90617773) is 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone is O=C(Cn1cc(-c2ccc(F)cc2)cn1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is BMQOMUBQSXTQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2S/c25-20-3-1-18(2-4-20)19-15-27-30(16-19)17-23(31)29-10-5-21(6-11-29)28-12-7-22(8-13-28)32-24-26-9-14-33-24/h1-4,9,14-16,21-22H,5-8,10-13,17H2.
What are the key properties of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone?
2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 469.59 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 90617773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).