5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine

C19H21FN4O2 — CID 141292503

IUPAC5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOCCOc1cc(F)cc([C@H]2CCCN2c2ccn3nccc3n2)c1
InChIInChI=1S/C19H21FN4O2/c1-25-9-10-26-16-12-14(11-15(20)13-16)17-3-2-7-23(17)18-5-8-24-19(22-18)4-6-21-24/h4-6,8,11-13,17H,2-3,7,9-10H2,1H3/t17-/m1/s1
InChIKeyPKHPVXUVAZCPFI-QGZVFWFLSA-N
MW356.40 g/mol
LogP3.24
Rot. Bonds6

About 5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine

5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 141292503) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID141292503
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOCCOc1cc(F)cc([C@H]2CCCN2c2ccn3nccc3n2)c1
InChIInChI=1S/C19H21FN4O2/c1-25-9-10-26-16-12-14(11-15(20)13-16)17-3-2-7-23(17)18-5-8-24-19(22-18)4-6-21-24/h4-6,8,11-13,17H,2-3,7,9-10H2,1H3/t17-/m1/s1
InChIKeyPKHPVXUVAZCPFI-QGZVFWFLSA-N
XLogP3.24
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole
CID 68779837
5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500168
[3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene
CID 123500847
3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine
CID 141424048
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine;oxaldehydic acid
CID 158601658
N'-acetyl-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 121395159
5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine
CID 67329531
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-3-carboxamide
CID 154027724
N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide
CID 77178143
2-ethyl-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 150595508
N-[5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide
CID 67330159
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyridine-3-carboxamide
CID 141332067

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 141292503) is 5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine is COCCOc1cc(F)cc([C@H]2CCCN2c2ccn3nccc3n2)c1.
What is the InChIKey of 5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is PKHPVXUVAZCPFI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-25-9-10-26-16-12-14(11-15(20)13-16)17-3-2-7-23(17)18-5-8-24-19(22-18)4-6-21-24/h4-6,8,11-13,17H,2-3,7,9-10H2,1H3/t17-/m1/s1.
What are the key properties of 5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?
5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 356.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141292503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).