3-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H28N8O3S — CID 175936105

About 3-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

3-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 175936105) has the molecular formula C25H28N8O3S and a molecular weight of 520.62 g/mol. Its IUPAC name is 3-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: 3-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 175936105
• Molecular Formula: C25H28N8O3S
• Molecular Weight: 520.62 g/mol
• Exact Mass: 520.20
• IUPAC Name: 3-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCC3(CCOC3)C2)cc1-c1c(-c2cnn(C)c2)sc2c(C(N)=O)cnn12
• InChI: InChI=1S/C25H28N8O3S/c1-15-18(7-17(9-27-15)30-20(34)12-32-5-3-25(13-32)4-6-36-14-25)21-22(16-8-28-31(2)11-16)37-24-19(23(26)35)10-29-33(21)24/h7-11H,3-6,12-14H2,1-2H3,(H2,26,35)(H,30,34)
• InChIKey: PDNUOVJYKJNZHE-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 132.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.62
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of 3-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 175936105) is 3-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for 3-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for 3-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CCC3(CCOC3)C2)cc1-c1c(-c2cnn(C)c2)sc2c(C(N)=O)cnn12.

What is the InChIKey of 3-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is PDNUOVJYKJNZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O3S/c1-15-18(7-17(9-27-15)30-20(34)12-32-5-3-25(13-32)4-6-36-14-25)21-22(16-8-28-31(2)11-16)37-24-19(23(26)35)10-29-33(21)24/h7-11H,3-6,12-14H2,1-2H3,(H2,26,35)(H,30,34).

What are the key properties of 3-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

3-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 520.62 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 175936105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).