N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen

C25H34N8O5S2 — CID 164547297

About N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen

N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen (PubChem CID 164547297) has the molecular formula C25H34N8O5S2 and a molecular weight of 590.73 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
• PubChem CID: 164547297
• Molecular Formula: C25H34N8O5S2
• Molecular Weight: 590.73 g/mol
• Exact Mass: 590.21
• IUPAC Name: N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
• SMILES: Cc1ncc(NC(=O)CN2CCO[C@H](C)C2)cc1NC(=O)c1cnn2cc(-c3cnn(CCS(C)(=O)=O)c3)sc12.[H][H].[H][H]
• InChI: InChI=1S/C25H30N8O5S2.2H2/c1-16-12-31(4-6-38-16)15-23(34)29-19-8-21(17(2)26-10-19)30-24(35)20-11-28-33-14-22(39-25(20)33)18-9-27-32(13-18)5-7-40(3,36)37;;/h8-11,13-14,16H,4-7,12,15H2,1-3H3,(H,29,34)(H,30,35);2*1H/t16-;;/m1../s1
• InChIKey: OOSQZAKMHDYCDO-GGMCWBHBSA-N
• XLogP: 2.41
• TPSA: 152.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.73
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?

The IUPAC name of N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen (CID 164547297) is N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?

The canonical SMILES for N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen is Cc1ncc(NC(=O)CN2CCO[C@H](C)C2)cc1NC(=O)c1cnn2cc(-c3cnn(CCS(C)(=O)=O)c3)sc12.[H][H].[H][H].

What is the InChIKey of N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?

The InChIKey is OOSQZAKMHDYCDO-GGMCWBHBSA-N. The full InChI is InChI=1S/C25H30N8O5S2.2H2/c1-16-12-31(4-6-38-16)15-23(34)29-19-8-21(17(2)26-10-19)30-24(35)20-11-28-33-14-22(39-25(20)33)18-9-27-32(13-18)5-7-40(3,36)37;;/h8-11,13-14,16H,4-7,12,15H2,1-3H3,(H,29,34)(H,30,35);2*1H/t16-;;/m1../s1.

What are the key properties of N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?

N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen has a molecular weight of 590.73 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]-2-[1-(2-methylsulfonylethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen is sourced from PubChem (CID 164547297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).