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

C25H30N8O3S — CID 175936116

About 3-[5-[[2-(3,3-dimethylpyrrolidin-1-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-(3,3-dimethylpyrrolidin-1-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 175936116) has the molecular formula C25H30N8O3S and a molecular weight of 522.64 g/mol. Its IUPAC name is 3-[5-[[2-(3,3-dimethylpyrrolidin-1-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-(3,3-dimethylpyrrolidin-1-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: 175936116
• Molecular Formula: C25H30N8O3S
• Molecular Weight: 522.64 g/mol
• Exact Mass: 522.22
• IUPAC Name: 3-[5-[[2-(3,3-dimethylpyrrolidin-1-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)CN2CCC(C)(C)C2)cc1-c1c(-c2cnn(CCO)c2)sc2c(C(N)=O)cnn12
• InChI: InChI=1S/C25H30N8O3S/c1-15-18(8-17(10-27-15)30-20(35)13-31-5-4-25(2,3)14-31)21-22(16-9-28-32(12-16)6-7-34)37-24-19(23(26)36)11-29-33(21)24/h8-12,34H,4-7,13-14H2,1-3H3,(H2,26,36)(H,30,35)
• InChIKey: JAKBEJVXSWHUBQ-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 143.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.64
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-(3,3-dimethylpyrrolidin-1-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-(3,3-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 175936116) is 3-[5-[[2-(3,3-dimethylpyrrolidin-1-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-(3,3-dimethylpyrrolidin-1-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-(3,3-dimethylpyrrolidin-1-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)CN2CCC(C)(C)C2)cc1-c1c(-c2cnn(CCO)c2)sc2c(C(N)=O)cnn12.

What is the InChIKey of 3-[5-[[2-(3,3-dimethylpyrrolidin-1-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 JAKBEJVXSWHUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O3S/c1-15-18(8-17(10-27-15)30-20(35)13-31-5-4-25(2,3)14-31)21-22(16-9-28-32(12-16)6-7-34)37-24-19(23(26)36)11-29-33(21)24/h8-12,34H,4-7,13-14H2,1-3H3,(H2,26,36)(H,30,35).

What are the key properties of 3-[5-[[2-(3,3-dimethylpyrrolidin-1-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-(3,3-dimethylpyrrolidin-1-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 522.64 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[[2-(3,3-dimethylpyrrolidin-1-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 175936116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).