3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine

C21H22FN5O — CID 145043946

IUPAC3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESC#COc1ccc(F)c(-c2cnn3ccc(N(C)CCN4CCCC4)nc23)c1
InChIInChI=1S/C21H22FN5O/c1-3-28-16-6-7-19(22)17(14-16)18-15-23-27-11-8-20(24-21(18)27)25(2)12-13-26-9-4-5-10-26/h1,6-8,11,14-15H,4-5,9-10,12-13H2,2H3
InChIKeyPHEOXHWWHAUEAN-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.04
Rot. Bonds6

About 3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 145043946) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID145043946
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESC#COc1ccc(F)c(-c2cnn3ccc(N(C)CCN4CCCC4)nc23)c1
InChIInChI=1S/C21H22FN5O/c1-3-28-16-6-7-19(22)17(14-16)18-15-23-27-11-8-20(24-21(18)27)25(2)12-13-26-9-4-5-10-26/h1,6-8,11,14-15H,4-5,9-10,12-13H2,2H3
InChIKeyPHEOXHWWHAUEAN-UHFFFAOYSA-N
XLogP3.04
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetylene;3-(2-fluoro-5-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 145044013
4-fluoro-N-methyl-3-[5-(pyrrolidin-1-ylmethyl)pyrazolo[1,5-a]pyrimidin-3-yl]aniline
CID 145043848
2-(3-fluoro-7,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-11-yl)acetonitrile
CID 136644755
6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 115416967
6-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3,6-triamine
CID 79826659
N-methyl-N-(2-pyrrolidin-1-ylethyl)quinolin-2-amine
CID 153322955
5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 59528066
tert-butyl N-[3-(5-amino-2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-yl]ethyl]carbamate
CID 140807604
6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 78926170
[5-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrazin-2-yl]methanol
CID 107372852
4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 81306441
3-fluoro-9,15-dimethyl-9,12,15,19,20,23-hexazatetracyclo[14.5.2.12,6.019,22]tetracosa-1(22),2,4,6(24),16(23),17,20-heptaene
CID 130358634

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 145043946) is 3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine is C#COc1ccc(F)c(-c2cnn3ccc(N(C)CCN4CCCC4)nc23)c1.
What is the InChIKey of 3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is PHEOXHWWHAUEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-3-28-16-6-7-19(22)17(14-16)18-15-23-27-11-8-20(24-21(18)27)25(2)12-13-26-9-4-5-10-26/h1,6-8,11,14-15H,4-5,9-10,12-13H2,2H3.
What are the key properties of 3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 379.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethynoxy-2-fluorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 145043946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).