2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H30N8O4S — CID 164548391

About 2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164548391) has the molecular formula C25H30N8O4S and a molecular weight of 538.63 g/mol. Its IUPAC name is 2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164548391
• Molecular Formula: C25H30N8O4S
• Molecular Weight: 538.63 g/mol
• Exact Mass: 538.21
• IUPAC Name: 2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(C(=O)NCCN2CCCC2)cc1NC(=O)c1cnn2cc(-c3cnn(CC(O)CO)c3)sc12
• InChI: InChI=1S/C25H30N8O4S/c1-16-21(8-17(9-27-16)23(36)26-4-7-31-5-2-3-6-31)30-24(37)20-11-29-33-14-22(38-25(20)33)18-10-28-32(12-18)13-19(35)15-34/h8-12,14,19,34-35H,2-7,13,15H2,1H3,(H,26,36)(H,30,37)
• InChIKey: NZYJFSPRRHSHQL-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 149.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.63
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of 2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164548391) is 2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for 2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for 2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCCN2CCCC2)cc1NC(=O)c1cnn2cc(-c3cnn(CC(O)CO)c3)sc12.

What is the InChIKey of 2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is NZYJFSPRRHSHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O4S/c1-16-21(8-17(9-27-16)23(36)26-4-7-31-5-2-3-6-31)30-24(37)20-11-29-33-14-22(38-25(20)33)18-10-28-32(12-18)13-19(35)15-34/h8-12,14,19,34-35H,2-7,13,15H2,1H3,(H,26,36)(H,30,37).

What are the key properties of 2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 538.63 g/mol, XLogP of 1.39, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2,3-dihydroxypropyl)pyrazol-4-yl]-N-[2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164548391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).