N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide

C30H28F2N6O2S — CID 155403330

About N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide

N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide (PubChem CID 155403330) has the molecular formula C30H28F2N6O2S and a molecular weight of 574.66 g/mol. Its IUPAC name is N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide
• PubChem CID: 155403330
• Molecular Formula: C30H28F2N6O2S
• Molecular Weight: 574.66 g/mol
• Exact Mass: 574.20
• IUPAC Name: N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide
• SMILES: O=S(=O)(Nc1cc(-c2ccc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C5CCNCC5)c4)ccc23)c1)C1CC1
• InChI: InChI=1S/C30H28F2N6O2S/c31-23-2-5-27(29(32)14-23)20-11-21(13-24(12-20)36-41(39,40)26-3-4-26)28-16-35-38-17-19(1-6-30(28)38)22-15-34-37(18-22)25-7-9-33-10-8-25/h1-2,5-6,11-18,25-26,33,36H,3-4,7-10H2
• InChIKey: WVXFQGSGIKRGJU-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 93.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.66
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide?

The IUPAC name of N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide (CID 155403330) is N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide.

What is the SMILES notation for N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide?

The canonical SMILES for N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide is O=S(=O)(Nc1cc(-c2ccc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C5CCNCC5)c4)ccc23)c1)C1CC1.

What is the InChIKey of N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide?

The InChIKey is WVXFQGSGIKRGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N6O2S/c31-23-2-5-27(29(32)14-23)20-11-21(13-24(12-20)36-41(39,40)26-3-4-26)28-16-35-38-17-19(1-6-30(28)38)22-15-34-37(18-22)25-7-9-33-10-8-25/h1-2,5-6,11-18,25-26,33,36H,3-4,7-10H2.

What are the key properties of N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide?

N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide has a molecular weight of 574.66 g/mol, XLogP of 5.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2,4-difluorophenyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 155403330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).