2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid

C12H13N3O3S — CID 119241632

IUPAC2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid
SMILESO=C(O)CSCCNC(=O)c1cnn2ccccc12
InChIInChI=1S/C12H13N3O3S/c16-11(17)8-19-6-4-13-12(18)9-7-14-15-5-2-1-3-10(9)15/h1-3,5,7H,4,6,8H2,(H,13,18)(H,16,17)
InChIKeyKMPQJFUWQJZKHH-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.88
Rot. Bonds6

About 2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid

2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid (PubChem CID 119241632) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid
PubChem CID119241632
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid
SMILESO=C(O)CSCCNC(=O)c1cnn2ccccc12
InChIInChI=1S/C12H13N3O3S/c16-11(17)8-19-6-4-13-12(18)9-7-14-15-5-2-1-3-10(9)15/h1-3,5,7H,4,6,8H2,(H,13,18)(H,16,17)
InChIKeyKMPQJFUWQJZKHH-UHFFFAOYSA-N
XLogP0.88
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)butanoic acid
CID 114006253
N-[2-(ethylamino)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113265553
N-(3-cyanopropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113412163
N-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113336480
N-(5-chloropentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 107320901
(2S)-2-hydroxy-3-(pyrazolo[1,5-a]pyridine-3-carbonylamino)propanoic acid
CID 107833160
2-[2-[(1-methylindole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241754
N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 175830935
N-(4-bromopentyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 114147488
1-[(pyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 103791309
N-(2-methylprop-2-enyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 104955628
N-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882438

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid?
The IUPAC name of 2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid (CID 119241632) is 2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid.
What is the SMILES notation for 2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid?
The canonical SMILES for 2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid is O=C(O)CSCCNC(=O)c1cnn2ccccc12.
What is the InChIKey of 2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid?
The InChIKey is KMPQJFUWQJZKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-11(17)8-19-6-4-13-12(18)9-7-14-15-5-2-1-3-10(9)15/h1-3,5,7H,4,6,8H2,(H,13,18)(H,16,17).
What are the key properties of 2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid?
2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid has a molecular weight of 279.32 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid is sourced from PubChem (CID 119241632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).