3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid

C17H20N4O3 — CID 82588897

IUPAC3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid
SMILESCC(=O)N1CCc2c(c(Nc3ccccc3)nn2CCC(=O)O)C1
InChIInChI=1S/C17H20N4O3/c1-12(22)20-9-7-15-14(11-20)17(18-13-5-3-2-4-6-13)19-21(15)10-8-16(23)24/h2-6H,7-11H2,1H3,(H,18,19)(H,23,24)
InChIKeyQDJXZAQYNVUOGZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.01
Rot. Bonds5

About 3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid

3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid (PubChem CID 82588897) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid
PubChem CID82588897
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid
SMILESCC(=O)N1CCc2c(c(Nc3ccccc3)nn2CCC(=O)O)C1
InChIInChI=1S/C17H20N4O3/c1-12(22)20-9-7-15-14(11-20)17(18-13-5-3-2-4-6-13)19-21(15)10-8-16(23)24/h2-6H,7-11H2,1H3,(H,18,19)(H,23,24)
InChIKeyQDJXZAQYNVUOGZ-UHFFFAOYSA-N
XLogP2.01
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid?
The IUPAC name of 3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid (CID 82588897) is 3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid?
The canonical SMILES for 3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid is CC(=O)N1CCc2c(c(Nc3ccccc3)nn2CCC(=O)O)C1.
What is the InChIKey of 3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid?
The InChIKey is QDJXZAQYNVUOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12(22)20-9-7-15-14(11-20)17(18-13-5-3-2-4-6-13)19-21(15)10-8-16(23)24/h2-6H,7-11H2,1H3,(H,18,19)(H,23,24).
What are the key properties of 3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid?
3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid has a molecular weight of 328.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetyl-3-anilino-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)propanoic acid is sourced from PubChem (CID 82588897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).