5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H17FN4O2S — CID 146554524

IUPAC5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(F)cc1CSc1ccn2ncc(C(=O)NC)c2n1
InChIInChI=1S/C17H17FN4O2S/c1-3-24-14-5-4-12(18)8-11(14)10-25-15-6-7-22-16(21-15)13(9-20-22)17(23)19-2/h4-9H,3,10H2,1-2H3,(H,19,23)
InChIKeyVJGCMTROAWEXOC-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.92
Rot. Bonds6

About 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146554524) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146554524
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccc(F)cc1CSc1ccn2ncc(C(=O)NC)c2n1
InChIInChI=1S/C17H17FN4O2S/c1-3-24-14-5-4-12(18)8-11(14)10-25-15-6-7-22-16(21-15)13(9-20-22)17(23)19-2/h4-9H,3,10H2,1-2H3,(H,19,23)
InChIKeyVJGCMTROAWEXOC-UHFFFAOYSA-N
XLogP2.92
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(5-fluoro-2-hydroxyphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;(5-fluoro-2-methoxyphenyl)methanethiol;methane;methanol;hydrochloride
CID 158862502
5-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 118265858
5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677518
ethyl 5-[(5-fluoro-2-sulfanylphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 118265529
ethyl 5-[[5-fluoro-2-[(2R)-2-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;fluoromethane
CID 145224721
5-[[(1R)-1-[5-fluoro-2-[(2R)-2-hydroxypropoxy]phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 152501893
N-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;2-methylpropanoic acid
CID 162266155
ethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 151641092
5-[(2,5-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 154402511
ethyl 5-[2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 123667329
N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966690
tert-butyl N-[2-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-methylpropyl]carbamate
CID 66848131

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146554524) is 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ccc(F)cc1CSc1ccn2ncc(C(=O)NC)c2n1.
What is the InChIKey of 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VJGCMTROAWEXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-3-24-14-5-4-12(18)8-11(14)10-25-15-6-7-22-16(21-15)13(9-20-22)17(23)19-2/h4-9H,3,10H2,1-2H3,(H,19,23).
What are the key properties of 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146554524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).