5-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C18H19FN4O4 — CID 118265858

IUPAC5-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCNCCOc1ccc(F)cc1C(C)Oc1ccn2ncc(C(=O)O)c2n1
InChIInChI=1S/C18H19FN4O4/c1-11(13-9-12(19)3-4-15(13)26-8-6-20-2)27-16-5-7-23-17(22-16)14(10-21-23)18(24)25/h3-5,7,9-11,20H,6,8H2,1-2H3,(H,24,25)
InChIKeyZNVJHCMOMHKVFH-UHFFFAOYSA-N
MW374.37 g/mol
LogP2.30
Rot. Bonds8

About 5-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 118265858) has the molecular formula C18H19FN4O4 and a molecular weight of 374.37 g/mol. Its IUPAC name is 5-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID118265858
Molecular FormulaC18H19FN4O4
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name5-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCNCCOc1ccc(F)cc1C(C)Oc1ccn2ncc(C(=O)O)c2n1
InChIInChI=1S/C18H19FN4O4/c1-11(13-9-12(19)3-4-15(13)26-8-6-20-2)27-16-5-7-23-17(22-16)14(10-21-23)18(24)25/h3-5,7,9-11,20H,6,8H2,1-2H3,(H,24,25)
InChIKeyZNVJHCMOMHKVFH-UHFFFAOYSA-N
XLogP2.30
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-fluoro-2-[1-(3-iodopyrazolo[1,5-a]pyrimidin-5-yl)oxyethyl]phenoxy]-N-methylethanamine
CID 118265530
5-[1-[5-fluoro-2-[2-(2-hydroxy-5-oxopyrrolidin-1-yl)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 138548245
5-ethoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-(4-fluorophenoxy)-N-methylethanamine
CID 144894162
5-[[(1R)-1-[5-fluoro-2-[(2R)-2-hydroxypropoxy]phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 152501893
5-[1-[2-(2-aminoethoxy)-5-fluorophenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(3R)-6-fluoro-3-methyl-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one;methane
CID 158335218
5-[[(1R)-1-[5-fluoro-2-[(2S)-1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylamino]propan-2-yl]oxyphenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 166507165
5-N-[1-[2-(2-aminoethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine;2,2,2-trifluoroacetic acid
CID 175921425
5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 121208399
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-[[(1R)-1-[5-fluoro-2-[(2S)-1-hydroxypropan-2-yl]sulfanylphenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 153354149
5-[(2-ethoxy-5-fluorophenyl)methylsulfanyl]-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146554524
2-[4-fluoro-2-[1-[(3-iodopyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]phenoxy]ethanol
CID 163625527

Frequently Asked Questions

What is the IUPAC name of 5-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 118265858) is 5-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CNCCOc1ccc(F)cc1C(C)Oc1ccn2ncc(C(=O)O)c2n1.
What is the InChIKey of 5-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is ZNVJHCMOMHKVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4/c1-11(13-9-12(19)3-4-15(13)26-8-6-20-2)27-16-5-7-23-17(22-16)14(10-21-23)18(24)25/h3-5,7,9-11,20H,6,8H2,1-2H3,(H,24,25).
What are the key properties of 5-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 374.37 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[5-fluoro-2-[2-(methylamino)ethoxy]phenyl]ethoxy]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 118265858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).