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

C28H30N8O5S2 — CID 58255735

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

2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(1H-pyrazol-4-ylsulfonylmethyl)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 58255735) has the molecular formula C28H30N8O5S2 and a molecular weight of 622.73 g/mol. Its IUPAC name is 2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(1H-pyrazol-4-ylsulfonylmethyl)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(1H-pyrazol-4-ylsulfonylmethyl)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 58255735
• Molecular Formula: C28H30N8O5S2
• Molecular Weight: 622.73 g/mol
• Exact Mass: 622.18
• IUPAC Name: 2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(1H-pyrazol-4-ylsulfonylmethyl)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
• SMILES: COc1ncc(-c2cc(NC(=O)c3csc(CN4C[C@@H](C)O[C@@H](C)C4)n3)c3cn[nH]c3c2)cc1CS(=O)(=O)c1cn[nH]c1
• InChI: InChI=1S/C28H30N8O5S2/c1-16-11-36(12-17(2)41-16)13-26-33-25(14-42-26)27(37)34-23-5-18(6-24-22(23)10-32-35-24)19-4-20(28(40-3)29-7-19)15-43(38,39)21-8-30-31-9-21/h4-10,14,16-17H,11-13,15H2,1-3H3,(H,30,31)(H,32,35)(H,34,37)/t16-,17+
• InChIKey: NYRFKROBXDAATC-CALCHBBNSA-N
• XLogP: 3.65
• TPSA: 168.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.73
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(1H-pyrazol-4-ylsulfonylmethyl)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide (CID 58255735) is 2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(1H-pyrazol-4-ylsulfonylmethyl)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(1H-pyrazol-4-ylsulfonylmethyl)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide is COc1ncc(-c2cc(NC(=O)c3csc(CN4C[C@@H](C)O[C@@H](C)C4)n3)c3cn[nH]c3c2)cc1CS(=O)(=O)c1cn[nH]c1.

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

The InChIKey is NYRFKROBXDAATC-CALCHBBNSA-N. The full InChI is InChI=1S/C28H30N8O5S2/c1-16-11-36(12-17(2)41-16)13-26-33-25(14-42-26)27(37)34-23-5-18(6-24-22(23)10-32-35-24)19-4-20(28(40-3)29-7-19)15-43(38,39)21-8-30-31-9-21/h4-10,14,16-17H,11-13,15H2,1-3H3,(H,30,31)(H,32,35)(H,34,37)/t16-,17+.

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

2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(1H-pyrazol-4-ylsulfonylmethyl)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 622.73 g/mol, XLogP of 3.65, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-[6-methoxy-5-(1H-pyrazol-4-ylsulfonylmethyl)-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58255735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).