3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid

C18H20N4O3 — CID 126474986

IUPAC3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid
SMILESCOCCNc1ccnc2c(-c3ccc(CCC(=O)O)cc3)cnn12
InChIInChI=1S/C18H20N4O3/c1-25-11-10-19-16-8-9-20-18-15(12-21-22(16)18)14-5-2-13(3-6-14)4-7-17(23)24/h2-3,5-6,8-9,12,19H,4,7,10-11H2,1H3,(H,23,24)
InChIKeyOOOPUJQUEUVSLM-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.47
Rot. Bonds8

About 3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid

3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid (PubChem CID 126474986) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid
PubChem CID126474986
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid
SMILESCOCCNc1ccnc2c(-c3ccc(CCC(=O)O)cc3)cnn12
InChIInChI=1S/C18H20N4O3/c1-25-11-10-19-16-8-9-20-18-15(12-21-22(16)18)14-5-2-13(3-6-14)4-7-17(23)24/h2-3,5-6,8-9,12,19H,4,7,10-11H2,1H3,(H,23,24)
InChIKeyOOOPUJQUEUVSLM-UHFFFAOYSA-N
XLogP2.47
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol
CID 126474527
3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751853
3-(4-aminophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126473680
N-(2-methoxyethyl)-2-methyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 66964301
3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126474913
3-[4-(2-methoxyethylcarbamoyl)phenyl]propanoic acid
CID 28760119
3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751413
N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126472767
3-[4-(3-methoxypropyl)phenyl]propanoic acid
CID 58454931
3-naphthalen-2-yl-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126475589
3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473681
3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473838

Frequently Asked Questions

What is the IUPAC name of 3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid (CID 126474986) is 3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid is COCCNc1ccnc2c(-c3ccc(CCC(=O)O)cc3)cnn12.
What is the InChIKey of 3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid?
The InChIKey is OOOPUJQUEUVSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-25-11-10-19-16-8-9-20-18-15(12-21-22(16)18)14-5-2-13(3-6-14)4-7-17(23)24/h2-3,5-6,8-9,12,19H,4,7,10-11H2,1H3,(H,23,24).
What are the key properties of 3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid?
3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[7-(2-methoxyethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]propanoic acid is sourced from PubChem (CID 126474986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).