N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

C29H31N7O7S2 — CID 66695669

About N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 66695669) has the molecular formula C29H31N7O7S2 and a molecular weight of 653.74 g/mol. Its IUPAC name is N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
• PubChem CID: 66695669
• Molecular Formula: C29H31N7O7S2
• Molecular Weight: 653.74 g/mol
• Exact Mass: 653.17
• IUPAC Name: N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
• SMILES: COc1ncc(-c2cc(-c3nnc(CN4C[C@@H](C)O[C@@H](C)C4)o3)c3cnn(S(=O)(=O)c4ccccc4)c3c2)cc1NS(C)(=O)=O
• InChI: InChI=1S/C29H31N7O7S2/c1-18-15-35(16-19(2)42-18)17-27-32-33-28(43-27)23-10-20(21-11-25(34-44(4,37)38)29(41-3)30-13-21)12-26-24(23)14-31-36(26)45(39,40)22-8-6-5-7-9-22/h5-14,18-19,34H,15-17H2,1-4H3/t18-,19+
• InChIKey: UYVONERRKVWLFH-KDURUIRLSA-N
• XLogP: 3.37
• TPSA: 171.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.74
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 66695669) is N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide.

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

The canonical SMILES for N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2cc(-c3nnc(CN4C[C@@H](C)O[C@@H](C)C4)o3)c3cnn(S(=O)(=O)c4ccccc4)c3c2)cc1NS(C)(=O)=O.

What is the InChIKey of N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide?

The InChIKey is UYVONERRKVWLFH-KDURUIRLSA-N. The full InChI is InChI=1S/C29H31N7O7S2/c1-18-15-35(16-19(2)42-18)17-27-32-33-28(43-27)23-10-20(21-11-25(34-44(4,37)38)29(41-3)30-13-21)12-26-24(23)14-31-36(26)45(39,40)22-8-6-5-7-9-22/h5-14,18-19,34H,15-17H2,1-4H3/t18-,19+.

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

N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 653.74 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 66695669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).