3-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C26H30N8O3S — CID 175936127

About 3-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

3-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 175936127) has the molecular formula C26H30N8O3S and a molecular weight of 534.65 g/mol. Its IUPAC name is 3-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: 3-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 175936127
• Molecular Formula: C26H30N8O3S
• Molecular Weight: 534.65 g/mol
• Exact Mass: 534.22
• IUPAC Name: 3-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCC3(CCC3)C2)cc1-c1c(-c2cnn(CCO)c2)sc2c(C(N)=O)cnn12
• InChI: InChI=1S/C26H30N8O3S/c1-16-19(9-18(11-28-16)31-21(36)14-32-6-5-26(15-32)3-2-4-26)22-23(17-10-29-33(13-17)7-8-35)38-25-20(24(27)37)12-30-34(22)25/h9-13,35H,2-8,14-15H2,1H3,(H2,27,37)(H,31,36)
• InChIKey: VHNNQOQGVTYDPD-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 143.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.65
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of 3-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 175936127) is 3-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for 3-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for 3-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CCC3(CCC3)C2)cc1-c1c(-c2cnn(CCO)c2)sc2c(C(N)=O)cnn12.

What is the InChIKey of 3-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is VHNNQOQGVTYDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O3S/c1-16-19(9-18(11-28-16)31-21(36)14-32-6-5-26(15-32)3-2-4-26)22-23(17-10-29-33(13-17)7-8-35)38-25-20(24(27)37)12-30-34(22)25/h9-13,35H,2-8,14-15H2,1H3,(H2,27,37)(H,31,36).

What are the key properties of 3-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

3-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 534.65 g/mol, XLogP of 2.54, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 175936127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).