2-(hydroxymethyl)-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenol

C17H13N3O2S — CID 177165114

IUPAC2-(hydroxymethyl)-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenol
SMILESOCc1cc(-c2csc(-c3cnn4ccccc34)n2)ccc1O
InChIInChI=1S/C17H13N3O2S/c21-9-12-7-11(4-5-16(12)22)14-10-23-17(19-14)13-8-18-20-6-2-1-3-15(13)20/h1-8,10,21-22H,9H2
InChIKeyCZSITZYNBOLXLT-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.32
Rot. Bonds3

About 2-(hydroxymethyl)-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenol

2-(hydroxymethyl)-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenol (PubChem CID 177165114) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenol
PubChem CID177165114
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name2-(hydroxymethyl)-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenol
SMILESOCc1cc(-c2csc(-c3cnn4ccccc34)n2)ccc1O
InChIInChI=1S/C17H13N3O2S/c21-9-12-7-11(4-5-16(12)22)14-10-23-17(19-14)13-8-18-20-6-2-1-3-15(13)20/h1-8,10,21-22H,9H2
InChIKeyCZSITZYNBOLXLT-UHFFFAOYSA-N
XLogP3.32
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-piperazin-1-yl-2-[4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenoxy]ethanone
CID 177165149
4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-amine
CID 103123806
5-methyl-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)-1H-pyrazol-3-amine
CID 177165112
4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol
CID 169215045
2-pyrazolo[1,5-a]pyridin-3-ylfluoren-9-one
CID 170173540
3-(5-propyl-1H-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine
CID 103119741
4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889589
4-pyrazolo[1,5-a]pyridin-3-ylpyridine-3-carboxylic acid
CID 82388438
4-[2-(furan-2-yl)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 25468910
5-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazole-2-carboxylic acid
CID 167386381
4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol
CID 142708641
2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124123

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenol?
The IUPAC name of 2-(hydroxymethyl)-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenol (CID 177165114) is 2-(hydroxymethyl)-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenol.
What is the SMILES notation for 2-(hydroxymethyl)-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenol?
The canonical SMILES for 2-(hydroxymethyl)-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenol is OCc1cc(-c2csc(-c3cnn4ccccc34)n2)ccc1O.
What is the InChIKey of 2-(hydroxymethyl)-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenol?
The InChIKey is CZSITZYNBOLXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c21-9-12-7-11(4-5-16(12)22)14-10-23-17(19-14)13-8-18-20-6-2-1-3-15(13)20/h1-8,10,21-22H,9H2.
What are the key properties of 2-(hydroxymethyl)-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenol?
2-(hydroxymethyl)-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenol has a molecular weight of 323.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-(2-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-4-yl)phenol is sourced from PubChem (CID 177165114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).