N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(4-fluorophenyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C28H28F2N4O3S — CID 71598903

About N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(4-fluorophenyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(4-fluorophenyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71598903) has the molecular formula C28H28F2N4O3S and a molecular weight of 538.62 g/mol. Its IUPAC name is N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(4-fluorophenyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(4-fluorophenyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 71598903
• Molecular Formula: C28H28F2N4O3S
• Molecular Weight: 538.62 g/mol
• Exact Mass: 538.19
• IUPAC Name: N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(4-fluorophenyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3-c3ccc(F)cc3)cc12
• InChI: InChI=1S/C28H28F2N4O3S/c1-28(2,3)38(36,37)32-27(35)24-17-31-34-14-12-21(16-26(24)34)33-13-4-5-25(33)23-15-20(30)10-11-22(23)18-6-8-19(29)9-7-18/h6-12,14-17,25H,4-5,13H2,1-3H3,(H,32,35)/t25-/m1/s1
• InChIKey: KOTARMUQNJSUIC-RUZDIDTESA-N
• XLogP: 5.48
• TPSA: 83.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.62
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(4-fluorophenyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(4-fluorophenyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71598903) is N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(4-fluorophenyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(4-fluorophenyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(4-fluorophenyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3-c3ccc(F)cc3)cc12.

What is the InChIKey of N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(4-fluorophenyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is KOTARMUQNJSUIC-RUZDIDTESA-N. The full InChI is InChI=1S/C28H28F2N4O3S/c1-28(2,3)38(36,37)32-27(35)24-17-31-34-14-12-21(16-26(24)34)33-13-4-5-25(33)23-15-20(30)10-11-22(23)18-6-8-19(29)9-7-18/h6-12,14-17,25H,4-5,13H2,1-3H3,(H,32,35)/t25-/m1/s1.

What are the key properties of N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(4-fluorophenyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(4-fluorophenyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 538.62 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(4-fluorophenyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71598903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).