5-(3-imidazol-1-ylpropanoyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C18H25N5O3 — CID 56708549

IUPAC5-(3-imidazol-1-ylpropanoyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)CCn1nc(C(=O)O)c2c1CCN(C(=O)CCn1ccnc1)C2
InChIInChI=1S/C18H25N5O3/c1-13(2)3-9-23-15-4-8-22(11-14(15)17(20-23)18(25)26)16(24)5-7-21-10-6-19-12-21/h6,10,12-13H,3-5,7-9,11H2,1-2H3,(H,25,26)
InChIKeyQTNLUPQORBRQOX-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.80
Rot. Bonds7

About 5-(3-imidazol-1-ylpropanoyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

5-(3-imidazol-1-ylpropanoyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56708549) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-(3-imidazol-1-ylpropanoyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-imidazol-1-ylpropanoyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56708549
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name5-(3-imidazol-1-ylpropanoyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)CCn1nc(C(=O)O)c2c1CCN(C(=O)CCn1ccnc1)C2
InChIInChI=1S/C18H25N5O3/c1-13(2)3-9-23-15-4-8-22(11-14(15)17(20-23)18(25)26)16(24)5-7-21-10-6-19-12-21/h6,10,12-13H,3-5,7-9,11H2,1-2H3,(H,25,26)
InChIKeyQTNLUPQORBRQOX-UHFFFAOYSA-N
XLogP1.80
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-imidazol-1-ylpropanoyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-(3-imidazol-1-ylpropanoyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56708549) is 5-(3-imidazol-1-ylpropanoyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-imidazol-1-ylpropanoyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-imidazol-1-ylpropanoyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CC(C)CCn1nc(C(=O)O)c2c1CCN(C(=O)CCn1ccnc1)C2.
What is the InChIKey of 5-(3-imidazol-1-ylpropanoyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is QTNLUPQORBRQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-13(2)3-9-23-15-4-8-22(11-14(15)17(20-23)18(25)26)16(24)5-7-21-10-6-19-12-21/h6,10,12-13H,3-5,7-9,11H2,1-2H3,(H,25,26).
What are the key properties of 5-(3-imidazol-1-ylpropanoyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-(3-imidazol-1-ylpropanoyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-imidazol-1-ylpropanoyl)-1-(3-methylbutyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56708549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).