3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid

C18H17N3O3 — CID 167797489

IUPAC3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)Cc2cnn3ccccc23)c1
InChIInChI=1S/C18H17N3O3/c22-17(11-14-12-19-21-9-2-1-6-16(14)21)20-15-5-3-4-13(10-15)7-8-18(23)24/h1-6,9-10,12H,7-8,11H2,(H,20,22)(H,23,24)
InChIKeyZOQLCRKRYJRWEP-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.53
Rot. Bonds6

About 3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid

3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid (PubChem CID 167797489) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid
PubChem CID167797489
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)Cc2cnn3ccccc23)c1
InChIInChI=1S/C18H17N3O3/c22-17(11-14-12-19-21-9-2-1-6-16(14)21)20-15-5-3-4-13(10-15)7-8-18(23)24/h1-6,9-10,12H,7-8,11H2,(H,20,22)(H,23,24)
InChIKeyZOQLCRKRYJRWEP-UHFFFAOYSA-N
XLogP2.53
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
3-phenyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 71790717
3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115339339
2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)acetic acid
CID 63311880
3-[3-[[2-(carboxymethylsulfanyl)acetyl]amino]phenyl]propanoic acid
CID 120613796
3-[3-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]phenyl]propanoic acid
CID 120613865
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486
1-(2-phenylethyl)-3-(pyrazolo[1,5-a]pyridin-3-ylmethyl)urea
CID 71790768
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634
3-[3-[3-[3-(methylcarbamoyl)phenyl]propanoylamino]phenyl]propanoic acid
CID 120538125
3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid
CID 115339894
3-[3-(3-methylsulfonylpropanoylamino)phenyl]propanoic acid
CID 115339297

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid (CID 167797489) is 3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid is O=C(O)CCc1cccc(NC(=O)Cc2cnn3ccccc23)c1.
What is the InChIKey of 3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid?
The InChIKey is ZOQLCRKRYJRWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-17(11-14-12-19-21-9-2-1-6-16(14)21)20-15-5-3-4-13(10-15)7-8-18(23)24/h1-6,9-10,12H,7-8,11H2,(H,20,22)(H,23,24).
What are the key properties of 3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid?
3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid has a molecular weight of 323.35 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 167797489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).