3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine

C18H22N6O — CID 141424048

IUPAC3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine
SMILESNCCCOc1cccc(C2CCCN2c2ccn3nccc3n2)n1
InChIInChI=1S/C18H22N6O/c19-9-3-13-25-18-6-1-4-14(21-18)15-5-2-11-23(15)16-8-12-24-17(22-16)7-10-20-24/h1,4,6-8,10,12,15H,2-3,5,9,11,13,19H2
InChIKeyVIOYYVZQXZWPMB-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.19
Rot. Bonds6

About 3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine

3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine (PubChem CID 141424048) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine.

Molecular Properties

Compound Name3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine
PubChem CID141424048
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine
SMILESNCCCOc1cccc(C2CCCN2c2ccn3nccc3n2)n1
InChIInChI=1S/C18H22N6O/c19-9-3-13-25-18-6-1-4-14(21-18)15-5-2-11-23(15)16-8-12-24-17(22-16)7-10-20-24/h1,4,6-8,10,12,15H,2-3,5,9,11,13,19H2
InChIKeyVIOYYVZQXZWPMB-UHFFFAOYSA-N
XLogP2.19
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67471093
5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 141292503
5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid
CID 130475837
5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 171704384
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine;oxaldehydic acid
CID 158601658
N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-2-yl)methyl]ethanamine
CID 115373034
2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid
CID 115372075
4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 133492915
2-(2-fluorophenoxy)-1-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110118435
5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 171700855
N-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 115373022
3-[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]propan-1-amine
CID 55241037

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine?
The IUPAC name of 3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine (CID 141424048) is 3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine.
What is the SMILES notation for 3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine?
The canonical SMILES for 3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine is NCCCOc1cccc(C2CCCN2c2ccn3nccc3n2)n1.
What is the InChIKey of 3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine?
The InChIKey is VIOYYVZQXZWPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c19-9-3-13-25-18-6-1-4-14(21-18)15-5-2-11-23(15)16-8-12-24-17(22-16)7-10-20-24/h1,4,6-8,10,12,15H,2-3,5,9,11,13,19H2.
What are the key properties of 3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine?
3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine has a molecular weight of 338.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine is sourced from PubChem (CID 141424048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).