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

C22H24ClN7O4S — CID 90833420

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

[2-chloro-5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 90833420) has the molecular formula C22H24ClN7O4S and a molecular weight of 518.00 g/mol. Its IUPAC name is [2-chloro-5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: [2-chloro-5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide
• PubChem CID: 90833420
• Molecular Formula: C22H24ClN7O4S
• Molecular Weight: 518.00 g/mol
• Exact Mass: 517.13
• IUPAC Name: [2-chloro-5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide
• SMILES: C[C@@H]1CN(Cc2nnc(-c3cc(-c4cnc(Cl)c(CS(N)(=O)=O)c4)cc4[nH]ncc34)o2)C[C@H](C)O1
• InChI: InChI=1S/C22H24ClN7O4S/c1-12-8-30(9-13(2)33-12)10-20-28-29-22(34-20)17-4-14(5-19-18(17)7-26-27-19)15-3-16(11-35(24,31)32)21(23)25-6-15/h3-7,12-13H,8-11H2,1-2H3,(H,26,27)(H2,24,31,32)/t12-,13+
• InChIKey: KQBVMYGXWCZHNK-BETUJISGSA-N
• XLogP: 2.73
• TPSA: 153.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.00
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of [2-chloro-5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide (CID 90833420) is [2-chloro-5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide.

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

The canonical SMILES for [2-chloro-5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide is C[C@@H]1CN(Cc2nnc(-c3cc(-c4cnc(Cl)c(CS(N)(=O)=O)c4)cc4[nH]ncc34)o2)C[C@H](C)O1.

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

The InChIKey is KQBVMYGXWCZHNK-BETUJISGSA-N. The full InChI is InChI=1S/C22H24ClN7O4S/c1-12-8-30(9-13(2)33-12)10-20-28-29-22(34-20)17-4-14(5-19-18(17)7-26-27-19)15-3-16(11-35(24,31)32)21(23)25-6-15/h3-7,12-13H,8-11H2,1-2H3,(H,26,27)(H2,24,31,32)/t12-,13+.

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

[2-chloro-5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 518.00 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-5-[4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]-1H-indazol-6-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 90833420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).