6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylmethyl]-2-fluorophenyl]-N-(3-hydroxypropyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

C23H21ClFN5O5S — CID 167641201

About 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylmethyl]-2-fluorophenyl]-N-(3-hydroxypropyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylmethyl]-2-fluorophenyl]-N-(3-hydroxypropyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 167641201) has the molecular formula C23H21ClFN5O5S and a molecular weight of 533.97 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylmethyl]-2-fluorophenyl]-N-(3-hydroxypropyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylmethyl]-2-fluorophenyl]-N-(3-hydroxypropyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 167641201
• Molecular Formula: C23H21ClFN5O5S
• Molecular Weight: 533.97 g/mol
• Exact Mass: 533.09
• IUPAC Name: 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylmethyl]-2-fluorophenyl]-N-(3-hydroxypropyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: COc1ncc(Cl)cc1S(=O)(=O)Cc1cccc(-c2cc3[nH]nc(C(=O)NCCCO)c3cn2)c1F
• InChI: InChI=1S/C23H21ClFN5O5S/c1-35-23-19(8-14(24)10-28-23)36(33,34)12-13-4-2-5-15(20(13)25)17-9-18-16(11-27-17)21(30-29-18)22(32)26-6-3-7-31/h2,4-5,8-11,31H,3,6-7,12H2,1H3,(H,26,32)(H,29,30)
• InChIKey: PELHHVWQZSHVQK-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 147.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.97
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylmethyl]-2-fluorophenyl]-N-(3-hydroxypropyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylmethyl]-2-fluorophenyl]-N-(3-hydroxypropyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 167641201) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylmethyl]-2-fluorophenyl]-N-(3-hydroxypropyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylmethyl]-2-fluorophenyl]-N-(3-hydroxypropyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylmethyl]-2-fluorophenyl]-N-(3-hydroxypropyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ncc(Cl)cc1S(=O)(=O)Cc1cccc(-c2cc3[nH]nc(C(=O)NCCCO)c3cn2)c1F.

What is the InChIKey of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylmethyl]-2-fluorophenyl]-N-(3-hydroxypropyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is PELHHVWQZSHVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O5S/c1-35-23-19(8-14(24)10-28-23)36(33,34)12-13-4-2-5-15(20(13)25)17-9-18-16(11-27-17)21(30-29-18)22(32)26-6-3-7-31/h2,4-5,8-11,31H,3,6-7,12H2,1H3,(H,26,32)(H,29,30).

What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylmethyl]-2-fluorophenyl]-N-(3-hydroxypropyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylmethyl]-2-fluorophenyl]-N-(3-hydroxypropyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 533.97 g/mol, XLogP of 2.91, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylmethyl]-2-fluorophenyl]-N-(3-hydroxypropyl)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167641201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).