5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C19H22N6O3 — CID 67471093

IUPAC5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNCCCOc1cccc([C@H]2CCCN2c2ccn3ncc(C(=O)O)c3n2)n1
InChIInChI=1S/C19H22N6O3/c20-8-3-11-28-17-6-1-4-14(22-17)15-5-2-9-24(15)16-7-10-25-18(23-16)13(12-21-25)19(26)27/h1,4,6-7,10,12,15H,2-3,5,8-9,11,20H2,(H,26,27)/t15-/m1/s1
InChIKeyBQWKBSOGIXEGDJ-OAHLLOKOSA-N
MW382.42 g/mol
LogP1.89
Rot. Bonds7

About 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 67471093) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID67471093
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESNCCCOc1cccc([C@H]2CCCN2c2ccn3ncc(C(=O)O)c3n2)n1
InChIInChI=1S/C19H22N6O3/c20-8-3-11-28-17-6-1-4-14(22-17)15-5-2-9-24(15)16-7-10-25-18(23-16)13(12-21-25)19(26)27/h1,4,6-7,10,12,15H,2-3,5,8-9,11,20H2,(H,26,27)/t15-/m1/s1
InChIKeyBQWKBSOGIXEGDJ-OAHLLOKOSA-N
XLogP1.89
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 67471093) is 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is NCCCOc1cccc([C@H]2CCCN2c2ccn3ncc(C(=O)O)c3n2)n1.
What is the InChIKey of 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is BQWKBSOGIXEGDJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N6O3/c20-8-3-11-28-17-6-1-4-14(22-17)15-5-2-9-24(15)16-7-10-25-18(23-16)13(12-21-25)19(26)27/h1,4,6-7,10,12,15H,2-3,5,8-9,11,20H2,(H,26,27)/t15-/m1/s1.
What are the key properties of 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 382.42 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 67471093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).