5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxylic acid

C18H11N5O2S2 — CID 22032466

IUPAC5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)s1
InChIInChI=1S/C18H11N5O2S2/c24-18(25)14-3-2-13(27-14)16-11(7-21-22-16)10-1-4-15-20-8-12(23(15)9-10)17-19-5-6-26-17/h1-9H,(H,21,22)(H,24,25)
InChIKeyCBBDKEXJUXPOHU-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.27
Rot. Bonds4

About 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxylic acid

5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxylic acid (PubChem CID 22032466) has the molecular formula C18H11N5O2S2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxylic acid
PubChem CID22032466
Molecular FormulaC18H11N5O2S2
Molecular Weight393.45 g/mol
Exact Mass393.04
IUPAC Name5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)s1
InChIInChI=1S/C18H11N5O2S2/c24-18(25)14-3-2-13(27-14)16-11(7-21-22-16)10-1-4-15-20-8-12(23(15)9-10)17-19-5-6-26-17/h1-9H,(H,21,22)(H,24,25)
InChIKeyCBBDKEXJUXPOHU-UHFFFAOYSA-N
XLogP4.27
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxylic acid (CID 22032466) is 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxylic acid is O=C(O)c1ccc(-c2[nH]ncc2-c2ccc3ncc(-c4nccs4)n3c2)s1.
What is the InChIKey of 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxylic acid?
The InChIKey is CBBDKEXJUXPOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5O2S2/c24-18(25)14-3-2-13(27-14)16-11(7-21-22-16)10-1-4-15-20-8-12(23(15)9-10)17-19-5-6-26-17/h1-9H,(H,21,22)(H,24,25).
What are the key properties of 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxylic acid?
5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxylic acid has a molecular weight of 393.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 22032466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).