ethyl 2-[3-(3,4-difluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylate

C18H12F2N4O2S — CID 121457708

IUPACethyl 2-[3-(3,4-difluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-n2nc(-c3ccc(F)c(F)c3)c3cccnc32)n1
InChIInChI=1S/C18H12F2N4O2S/c1-2-26-17(25)14-9-27-18(22-14)24-16-11(4-3-7-21-16)15(23-24)10-5-6-12(19)13(20)8-10/h3-9H,2H2,1H3
InChIKeyOBYPZJWYWUDLBW-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.00
Rot. Bonds4

About ethyl 2-[3-(3,4-difluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylate

ethyl 2-[3-(3,4-difluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylate (PubChem CID 121457708) has the molecular formula C18H12F2N4O2S and a molecular weight of 386.38 g/mol. Its IUPAC name is ethyl 2-[3-(3,4-difluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(3,4-difluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylate
PubChem CID121457708
Molecular FormulaC18H12F2N4O2S
Molecular Weight386.38 g/mol
Exact Mass386.06
IUPAC Nameethyl 2-[3-(3,4-difluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-n2nc(-c3ccc(F)c(F)c3)c3cccnc32)n1
InChIInChI=1S/C18H12F2N4O2S/c1-2-26-17(25)14-9-27-18(22-14)24-16-11(4-3-7-21-16)15(23-24)10-5-6-12(19)13(20)8-10/h3-9H,2H2,1H3
InChIKeyOBYPZJWYWUDLBW-UHFFFAOYSA-N
XLogP4.00
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[3-(3,4-difluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[5-(4-aminophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylate
CID 67071978
2-[5-(3,4-difluorophenyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179271
ethyl 2-[6-(2,2-dimethylpropanoylamino)-3-phenylindazol-1-yl]-1,3-thiazole-4-carboxylate
CID 67059782
ethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
CID 1498339
2-[3-(3-chloro-4-fluorophenyl)indazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 59179933
ethyl 5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylate
CID 42878867
4-[[5-(cyclopropylmethyl)-1-(4-ethoxycarbonyl-1,3-thiazol-2-yl)-3-[3-(4-methylphenyl)phenyl]pyrazol-4-yl]methyl]-2-fluorobenzenesulfinic acid
CID 139319059
CID 162325690
CID 162325690
ethyl 2-[5-(cyclopropylmethyl)-3-[4-fluoro-3-(3-fluorophenyl)phenyl]-4-[(3-fluoro-4-methylsulfonylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylate
CID 156568250
ethyl 2-[5-amino-3-(3-phenylphenyl)-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylate
CID 121461740
ethyl 4-(3,4-difluorophenyl)pyrimidine-2-carboxylate
CID 116903632
ethyl 2-[4-[[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]methyl]-3-(3-bromo-4-fluorophenyl)-5-ethylpyrazol-1-yl]-1,3-thiazole-4-carboxylate
CID 162358562

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(3,4-difluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[3-(3,4-difluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylate (CID 121457708) is ethyl 2-[3-(3,4-difluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[3-(3,4-difluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[3-(3,4-difluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-n2nc(-c3ccc(F)c(F)c3)c3cccnc32)n1.
What is the InChIKey of ethyl 2-[3-(3,4-difluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is OBYPZJWYWUDLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2S/c1-2-26-17(25)14-9-27-18(22-14)24-16-11(4-3-7-21-16)15(23-24)10-5-6-12(19)13(20)8-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-[3-(3,4-difluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[3-(3,4-difluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 386.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(3,4-difluorophenyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 121457708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).