N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide

C28H27F2N7O2S — CID 155403843

About N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide

N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (PubChem CID 155403843) has the molecular formula C28H27F2N7O2S and a molecular weight of 563.63 g/mol. Its IUPAC name is N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
• PubChem CID: 155403843
• Molecular Formula: C28H27F2N7O2S
• Molecular Weight: 563.63 g/mol
• Exact Mass: 563.19
• IUPAC Name: N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide
• SMILES: CN1CCC(n2cc(-c3ccc4c(-c5cc(NS(C)(=O)=O)cc(-c6ncc(F)cc6F)c5)cnn4c3)cn2)CC1
• InChI: InChI=1S/C28H27F2N7O2S/c1-35-7-5-24(6-8-35)36-17-21(13-32-36)18-3-4-27-25(15-33-37(27)16-18)19-9-20(11-23(10-19)34-40(2,38)39)28-26(30)12-22(29)14-31-28/h3-4,9-17,24,34H,5-8H2,1-2H3
• InChIKey: PRASSWOJDXGLSM-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 97.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.63
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?

The IUPAC name of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide (CID 155403843) is N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?

The canonical SMILES for N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is CN1CCC(n2cc(-c3ccc4c(-c5cc(NS(C)(=O)=O)cc(-c6ncc(F)cc6F)c5)cnn4c3)cn2)CC1.

What is the InChIKey of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?

The InChIKey is PRASSWOJDXGLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N7O2S/c1-35-7-5-24(6-8-35)36-17-21(13-32-36)18-3-4-27-25(15-33-37(27)16-18)19-9-20(11-23(10-19)34-40(2,38)39)28-26(30)12-22(29)14-31-28/h3-4,9-17,24,34H,5-8H2,1-2H3.

What are the key properties of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide?

N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide has a molecular weight of 563.63 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 155403843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).