2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole

C17H17ClN6S — CID 178051115

IUPAC2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cc2cc(-c3nn4cc(C5CCNCC5)nc4s3)cc(Cl)n2n1
InChIInChI=1S/C17H17ClN6S/c1-10-6-13-7-12(8-15(18)24(13)21-10)16-22-23-9-14(20-17(23)25-16)11-2-4-19-5-3-11/h6-9,11,19H,2-5H2,1H3
InChIKeyBAAACNDWBLJITM-UHFFFAOYSA-N
MW372.89 g/mol
LogP3.53
Rot. Bonds2

About 2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole

2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 178051115) has the molecular formula C17H17ClN6S and a molecular weight of 372.89 g/mol. Its IUPAC name is 2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID178051115
Molecular FormulaC17H17ClN6S
Molecular Weight372.89 g/mol
Exact Mass372.09
IUPAC Name2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cc2cc(-c3nn4cc(C5CCNCC5)nc4s3)cc(Cl)n2n1
InChIInChI=1S/C17H17ClN6S/c1-10-6-13-7-12(8-15(18)24(13)21-10)16-22-23-9-14(20-17(23)25-16)11-2-4-19-5-3-11/h6-9,11,19H,2-5H2,1H3
InChIKeyBAAACNDWBLJITM-UHFFFAOYSA-N
XLogP3.53
TPSA59.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.89
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 178051115) is 2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole is Cc1cc2cc(-c3nn4cc(C5CCNCC5)nc4s3)cc(Cl)n2n1.
What is the InChIKey of 2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is BAAACNDWBLJITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6S/c1-10-6-13-7-12(8-15(18)24(13)21-10)16-22-23-9-14(20-17(23)25-16)11-2-4-19-5-3-11/h6-9,11,19H,2-5H2,1H3.
What are the key properties of 2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole?
2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 372.89 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-6-piperidin-4-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 178051115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).