2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid

C15H16N4O3S — CID 120520706

IUPAC2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)c1cccc(-n2cccn2)n1
InChIInChI=1S/C15H16N4O3S/c20-14(21)9-11-10-23-8-7-18(11)15(22)12-3-1-4-13(17-12)19-6-2-5-16-19/h1-6,11H,7-10H2,(H,20,21)
InChIKeyPHVCDRCTAIUJDZ-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.30
Rot. Bonds4

About 2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid

2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid (PubChem CID 120520706) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid
PubChem CID120520706
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)c1cccc(-n2cccn2)n1
InChIInChI=1S/C15H16N4O3S/c20-14(21)9-11-10-23-8-7-18(11)15(22)12-3-1-4-13(17-12)19-6-2-5-16-19/h1-6,11H,7-10H2,(H,20,21)
InChIKeyPHVCDRCTAIUJDZ-UHFFFAOYSA-N
XLogP1.30
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid (CID 120520706) is 2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C(=O)c1cccc(-n2cccn2)n1.
What is the InChIKey of 2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is PHVCDRCTAIUJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c20-14(21)9-11-10-23-8-7-18(11)15(22)12-3-1-4-13(17-12)19-6-2-5-16-19/h1-6,11H,7-10H2,(H,20,21).
What are the key properties of 2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid?
2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid has a molecular weight of 332.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-pyrazol-1-ylpyridine-2-carbonyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 120520706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).