5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid

C18H21N7O3 — CID 130475837

IUPAC5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESNCCCOc1cccc([C@H]2CCCN2c2ncc3[nH]nc(C(=O)O)c3n2)n1
InChIInChI=1S/C18H21N7O3/c19-7-3-9-28-14-6-1-4-11(21-14)13-5-2-8-25(13)18-20-10-12-15(22-18)16(17(26)27)24-23-12/h1,4,6,10,13H,2-3,5,7-9,19H2,(H,23,24)(H,26,27)/t13-/m1/s1
InChIKeyQHKFEKRZFGIKMX-CYBMUJFWSA-N
MW383.41 g/mol
LogP1.52
Rot. Bonds7

About 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid

5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid (PubChem CID 130475837) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid
PubChem CID130475837
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESNCCCOc1cccc([C@H]2CCCN2c2ncc3[nH]nc(C(=O)O)c3n2)n1
InChIInChI=1S/C18H21N7O3/c19-7-3-9-28-14-6-1-4-11(21-14)13-5-2-8-25(13)18-20-10-12-15(22-18)16(17(26)27)24-23-12/h1,4,6,10,13H,2-3,5,7-9,19H2,(H,23,24)(H,26,27)/t13-/m1/s1
InChIKeyQHKFEKRZFGIKMX-CYBMUJFWSA-N
XLogP1.52
TPSA143.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-[2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid
CID 130475827
3-[[6-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-2-yl)-2-pyridinyl]oxy]propan-1-amine
CID 141424048
N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-yl]-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide
CID 140813303
4-(2-methoxyethoxy)-2-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 174514379
5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid
CID 76847253
3-[6-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 124973545
3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine
CID 63586658
N-[5-[2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-3-hydroxyazetidine-1-carboxamide
CID 140673839
2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 124991443
4-[(4-fluorophenoxy)methyl]-2-[(2S)-2-phenylpyrrolidin-1-yl]pyrimidine-5-carboxylic acid
CID 124970419
2-[(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-4-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxylic acid
CID 129455860

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid (CID 130475837) is 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid is NCCCOc1cccc([C@H]2CCCN2c2ncc3[nH]nc(C(=O)O)c3n2)n1.
What is the InChIKey of 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid?
The InChIKey is QHKFEKRZFGIKMX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N7O3/c19-7-3-9-28-14-6-1-4-11(21-14)13-5-2-8-25(13)18-20-10-12-15(22-18)16(17(26)27)24-23-12/h1,4,6,10,13H,2-3,5,7-9,19H2,(H,23,24)(H,26,27)/t13-/m1/s1.
What are the key properties of 5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid?
5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid has a molecular weight of 383.41 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 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]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 130475837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).