1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide

C20H20FN7O2S — CID 170968777

About 1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide

1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide (PubChem CID 170968777) has the molecular formula C20H20FN7O2S and a molecular weight of 441.49 g/mol. Its IUPAC name is 1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: 1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
• PubChem CID: 170968777
• Molecular Formula: C20H20FN7O2S
• Molecular Weight: 441.49 g/mol
• Exact Mass: 441.14
• IUPAC Name: 1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
• SMILES: Cn1ncc2cccc(NS(=O)(=O)c3cnn(-c4cc(N5CC[C@H](F)C5)ccn4)c3)c21
• InChI: InChI=1S/C20H20FN7O2S/c1-26-20-14(10-23-26)3-2-4-18(20)25-31(29,30)17-11-24-28(13-17)19-9-16(5-7-22-19)27-8-6-15(21)12-27/h2-5,7,9-11,13,15,25H,6,8,12H2,1H3/t15-/m0/s1
• InChIKey: MFSPQCNPFWFLDR-HNNXBMFYSA-N
• XLogP: 2.50
• TPSA: 97.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.49
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?

The IUPAC name of 1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide (CID 170968777) is 1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide.

What is the SMILES notation for 1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?

The canonical SMILES for 1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide is Cn1ncc2cccc(NS(=O)(=O)c3cnn(-c4cc(N5CC[C@H](F)C5)ccn4)c3)c21.

What is the InChIKey of 1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?

The InChIKey is MFSPQCNPFWFLDR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20FN7O2S/c1-26-20-14(10-23-26)3-2-4-18(20)25-31(29,30)17-11-24-28(13-17)19-9-16(5-7-22-19)27-8-6-15(21)12-27/h2-5,7,9-11,13,15,25H,6,8,12H2,1H3/t15-/m0/s1.

What are the key properties of 1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?

1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide has a molecular weight of 441.49 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 170968777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).