N-[5-[2-(2-hydroxyethylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;hydrochloride

C21H25ClN8O3S — CID 164547713

About N-[5-[2-(2-hydroxyethylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;hydrochloride

N-[5-[2-(2-hydroxyethylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;hydrochloride (PubChem CID 164547713) has the molecular formula C21H25ClN8O3S and a molecular weight of 505.00 g/mol. Its IUPAC name is N-[5-[2-(2-hydroxyethylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[5-[2-(2-hydroxyethylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;hydrochloride
• PubChem CID: 164547713
• Molecular Formula: C21H25ClN8O3S
• Molecular Weight: 505.00 g/mol
• Exact Mass: 504.15
• IUPAC Name: N-[5-[2-(2-hydroxyethylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;hydrochloride
• SMILES: Cc1ncc(C(=O)NCCNCCO)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.Cl
• InChI: InChI=1S/C21H24N8O3S.ClH/c1-13-17(7-14(8-24-13)19(31)23-4-3-22-5-6-30)27-20(32)16-10-26-29-12-18(33-21(16)29)15-9-25-28(2)11-15;/h7-12,22,30H,3-6H2,1-2H3,(H,23,31)(H,27,32);1H
• InChIKey: XMFCHINXDZWKOX-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 138.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.00
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-hydroxyethylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;hydrochloride?

The IUPAC name of N-[5-[2-(2-hydroxyethylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;hydrochloride (CID 164547713) is N-[5-[2-(2-hydroxyethylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;hydrochloride.

What is the SMILES notation for N-[5-[2-(2-hydroxyethylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;hydrochloride?

The canonical SMILES for N-[5-[2-(2-hydroxyethylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;hydrochloride is Cc1ncc(C(=O)NCCNCCO)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.Cl.

What is the InChIKey of N-[5-[2-(2-hydroxyethylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;hydrochloride?

The InChIKey is XMFCHINXDZWKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O3S.ClH/c1-13-17(7-14(8-24-13)19(31)23-4-3-22-5-6-30)27-20(32)16-10-26-29-12-18(33-21(16)29)15-9-25-28(2)11-15;/h7-12,22,30H,3-6H2,1-2H3,(H,23,31)(H,27,32);1H.

What are the key properties of N-[5-[2-(2-hydroxyethylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;hydrochloride?

N-[5-[2-(2-hydroxyethylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;hydrochloride has a molecular weight of 505.00 g/mol, XLogP of 1.49, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2-hydroxyethylamino)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;hydrochloride is sourced from PubChem (CID 164547713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).