6-chloro-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole

C20H18ClN7O2S2 — CID 45272463

IUPAC6-chloro-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1c(Cl)nc2sccn12)n1ccc2ncc(-c3cnn(C4CCNCC4)c3)cc21
InChIInChI=1S/C20H18ClN7O2S2/c21-18-19(26-7-8-31-20(26)25-18)32(29,30)28-6-3-16-17(28)9-13(10-23-16)14-11-24-27(12-14)15-1-4-22-5-2-15/h3,6-12,15,22H,1-2,4-5H2
InChIKeyIHQDEVWBUXDZQZ-UHFFFAOYSA-N
MW488.00 g/mol
LogP3.42
Rot. Bonds4

About 6-chloro-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole

6-chloro-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole (PubChem CID 45272463) has the molecular formula C20H18ClN7O2S2 and a molecular weight of 488.00 g/mol. Its IUPAC name is 6-chloro-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-chloro-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole
PubChem CID45272463
Molecular FormulaC20H18ClN7O2S2
Molecular Weight488.00 g/mol
Exact Mass487.07
IUPAC Name6-chloro-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1c(Cl)nc2sccn12)n1ccc2ncc(-c3cnn(C4CCNCC4)c3)cc21
InChIInChI=1S/C20H18ClN7O2S2/c21-18-19(26-7-8-31-20(26)25-18)32(29,30)28-6-3-16-17(28)9-13(10-23-16)14-11-24-27(12-14)15-1-4-22-5-2-15/h3,6-12,15,22H,1-2,4-5H2
InChIKeyIHQDEVWBUXDZQZ-UHFFFAOYSA-N
XLogP3.42
TPSA99.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.00
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-chloro-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-chloro-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole (CID 45272463) is 6-chloro-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-chloro-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-chloro-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole is O=S(=O)(c1c(Cl)nc2sccn12)n1ccc2ncc(-c3cnn(C4CCNCC4)c3)cc21.
What is the InChIKey of 6-chloro-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole?
The InChIKey is IHQDEVWBUXDZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN7O2S2/c21-18-19(26-7-8-31-20(26)25-18)32(29,30)28-6-3-16-17(28)9-13(10-23-16)14-11-24-27(12-14)15-1-4-22-5-2-15/h3,6-12,15,22H,1-2,4-5H2.
What are the key properties of 6-chloro-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole?
6-chloro-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole has a molecular weight of 488.00 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridin-1-yl]sulfonylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 45272463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).