1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]

C23H29N7OS — CID 170101698

About 1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]

1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] (PubChem CID 170101698) has the molecular formula C23H29N7OS and a molecular weight of 451.60 g/mol. Its IUPAC name is 1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,3]thiazole-5,4'-piperidine].

Molecular Properties

• Compound Name: 1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
• PubChem CID: 170101698
• Molecular Formula: C23H29N7OS
• Molecular Weight: 451.60 g/mol
• Exact Mass: 451.22
• IUPAC Name: 1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]
• SMILES: COC1=NC2CC3(CCN(c4nc(C)c(-c5cnn(C)c5C)n5nccc45)CC3)CC2S1
• InChI: InChI=1S/C23H29N7OS/c1-14-20(16-13-25-28(3)15(16)2)30-18(5-8-24-30)21(26-14)29-9-6-23(7-10-29)11-17-19(12-23)32-22(27-17)31-4/h5,8,13,17,19H,6-7,9-12H2,1-4H3
• InChIKey: ROOZYBFJVXFKRC-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 72.84 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.60
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?

The IUPAC name of 1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] (CID 170101698) is 1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,3]thiazole-5,4'-piperidine].

What is the SMILES notation for 1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?

The canonical SMILES for 1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] is COC1=NC2CC3(CCN(c4nc(C)c(-c5cnn(C)c5C)n5nccc45)CC3)CC2S1.

What is the InChIKey of 1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?

The InChIKey is ROOZYBFJVXFKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7OS/c1-14-20(16-13-25-28(3)15(16)2)30-18(5-8-24-30)21(26-14)29-9-6-23(7-10-29)11-17-19(12-23)32-22(27-17)31-4/h5,8,13,17,19H,6-7,9-12H2,1-4H3.

What are the key properties of 1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]?

1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] has a molecular weight of 451.60 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methoxyspiro[3a,4,6,6a-tetrahydrocyclopenta[d][1,3]thiazole-5,4'-piperidine] is sourced from PubChem (CID 170101698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).