2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide

C27H33N7O5S2 — CID 58255832

About 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide

2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 58255832) has the molecular formula C27H33N7O5S2 and a molecular weight of 599.74 g/mol. Its IUPAC name is 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 58255832
• Molecular Formula: C27H33N7O5S2
• Molecular Weight: 599.74 g/mol
• Exact Mass: 599.20
• IUPAC Name: 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
• SMILES: CCCS(=O)(=O)Nc1cc(-c2cc(NC(=O)c3csc(CN4C[C@@H](C)O[C@@H](C)C4)n3)c3cn[nH]c3c2)cnc1OC
• InChI: InChI=1S/C27H33N7O5S2/c1-5-6-41(36,37)33-23-9-19(10-28-27(23)38-4)18-7-21(20-11-29-32-22(20)8-18)31-26(35)24-15-40-25(30-24)14-34-12-16(2)39-17(3)13-34/h7-11,15-17,33H,5-6,12-14H2,1-4H3,(H,29,32)(H,31,35)/t16-,17+
• InChIKey: FTQLDJIEEBVLKQ-CALCHBBNSA-N
• XLogP: 4.10
• TPSA: 151.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.74
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide (CID 58255832) is 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide is CCCS(=O)(=O)Nc1cc(-c2cc(NC(=O)c3csc(CN4C[C@@H](C)O[C@@H](C)C4)n3)c3cn[nH]c3c2)cnc1OC.

What is the InChIKey of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is FTQLDJIEEBVLKQ-CALCHBBNSA-N. The full InChI is InChI=1S/C27H33N7O5S2/c1-5-6-41(36,37)33-23-9-19(10-28-27(23)38-4)18-7-21(20-11-29-32-22(20)8-18)31-26(35)24-15-40-25(30-24)14-34-12-16(2)39-17(3)13-34/h7-11,15-17,33H,5-6,12-14H2,1-4H3,(H,29,32)(H,31,35)/t16-,17+.

What are the key properties of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?

2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 599.74 g/mol, XLogP of 4.10, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(propylsulfonylamino)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58255832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).