3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid

C16H21N3O3 — CID 121496750

IUPAC3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid
SMILESCCCCC(CC(=O)O)NC(=O)c1cc2cc(C)ccn2n1
InChIInChI=1S/C16H21N3O3/c1-3-4-5-12(9-15(20)21)17-16(22)14-10-13-8-11(2)6-7-19(13)18-14/h6-8,10,12H,3-5,9H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyQAJGBDHCWWJBIM-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.41
Rot. Bonds7

About 3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid

3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid (PubChem CID 121496750) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid
PubChem CID121496750
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid
SMILESCCCCC(CC(=O)O)NC(=O)c1cc2cc(C)ccn2n1
InChIInChI=1S/C16H21N3O3/c1-3-4-5-12(9-15(20)21)17-16(22)14-10-13-8-11(2)6-7-19(13)18-14/h6-8,10,12H,3-5,9H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyQAJGBDHCWWJBIM-UHFFFAOYSA-N
XLogP2.41
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid?
The IUPAC name of 3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid (CID 121496750) is 3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid?
The canonical SMILES for 3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid is CCCCC(CC(=O)O)NC(=O)c1cc2cc(C)ccn2n1.
What is the InChIKey of 3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid?
The InChIKey is QAJGBDHCWWJBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-4-5-12(9-15(20)21)17-16(22)14-10-13-8-11(2)6-7-19(13)18-14/h6-8,10,12H,3-5,9H2,1-2H3,(H,17,22)(H,20,21).
What are the key properties of 3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid?
3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid has a molecular weight of 303.36 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 121496750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).