6-[(6-chloro-2-thiomorpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid

C18H17ClN4O2S — CID 123950503

IUPAC6-[(6-chloro-2-thiomorpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(N3CCSCC3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C18H17ClN4O2S/c19-12-4-5-16-14(10-13-2-1-3-15(20-13)18(24)25)17(21-23(16)11-12)22-6-8-26-9-7-22/h1-5,11H,6-10H2,(H,24,25)
InChIKeyCJKLYLUSQSEXRX-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.22
Rot. Bonds4

About 6-[(6-chloro-2-thiomorpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid

6-[(6-chloro-2-thiomorpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 123950503) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is 6-[(6-chloro-2-thiomorpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(6-chloro-2-thiomorpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID123950503
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC Name6-[(6-chloro-2-thiomorpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(N3CCSCC3)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C18H17ClN4O2S/c19-12-4-5-16-14(10-13-2-1-3-15(20-13)18(24)25)17(21-23(16)11-12)22-6-8-26-9-7-22/h1-5,11H,6-10H2,(H,24,25)
InChIKeyCJKLYLUSQSEXRX-UHFFFAOYSA-N
XLogP3.22
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-2-thiomorpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(6-chloro-2-thiomorpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid (CID 123950503) is 6-[(6-chloro-2-thiomorpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(6-chloro-2-thiomorpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(6-chloro-2-thiomorpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(Cc2c(N3CCSCC3)nn3cc(Cl)ccc23)n1.
What is the InChIKey of 6-[(6-chloro-2-thiomorpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is CJKLYLUSQSEXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c19-12-4-5-16-14(10-13-2-1-3-15(20-13)18(24)25)17(21-23(16)11-12)22-6-8-26-9-7-22/h1-5,11H,6-10H2,(H,24,25).
What are the key properties of 6-[(6-chloro-2-thiomorpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(6-chloro-2-thiomorpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 388.88 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-2-thiomorpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 123950503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).