(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate

C24H17FN4O4S — CID 16519229

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate
SMILESCOc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)OCc2cc(=O)n3ccsc3n2)c1
InChIInChI=1S/C24H17FN4O4S/c1-32-19-4-2-3-15(11-19)22-20(13-29(27-22)18-7-5-16(25)6-8-18)23(31)33-14-17-12-21(30)28-9-10-34-24(28)26-17/h2-13H,14H2,1H3
InChIKeyAKGSXPGRCHIPFH-UHFFFAOYSA-N
MW476.49 g/mol
LogP4.11
Rot. Bonds6

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate (PubChem CID 16519229) has the molecular formula C24H17FN4O4S and a molecular weight of 476.49 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate
PubChem CID16519229
Molecular FormulaC24H17FN4O4S
Molecular Weight476.49 g/mol
Exact Mass476.10
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate
SMILESCOc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)OCc2cc(=O)n3ccsc3n2)c1
InChIInChI=1S/C24H17FN4O4S/c1-32-19-4-2-3-15(11-19)22-20(13-29(27-22)18-7-5-16(25)6-8-18)23(31)33-14-17-12-21(30)28-9-10-34-24(28)26-17/h2-13H,14H2,1H3
InChIKeyAKGSXPGRCHIPFH-UHFFFAOYSA-N
XLogP4.11
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1,3-diphenylpyrazole-4-carboxylate
CID 2659581
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2,4-dimethoxybenzoate
CID 2659412
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylate
CID 55380088
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 9301358
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(4-fluorophenoxy)acetate
CID 7791374
N-[2-(dimethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-4-carboxamide
CID 9227105
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylsulfanylbenzoate
CID 2641473
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 25494249
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-benzyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 42983383
(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate
CID 16519237
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 135729945
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-ethylsulfanylbenzoate
CID 8658536

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate (CID 16519229) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate is COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)OCc2cc(=O)n3ccsc3n2)c1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate?
The InChIKey is AKGSXPGRCHIPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O4S/c1-32-19-4-2-3-15(11-19)22-20(13-29(27-22)18-7-5-16(25)6-8-18)23(31)33-14-17-12-21(30)28-9-10-34-24(28)26-17/h2-13H,14H2,1H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate has a molecular weight of 476.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 16519229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).