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

C29H27F2N7O2S — CID 155403476

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

N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide (PubChem CID 155403476) has the molecular formula C29H27F2N7O2S and a molecular weight of 575.65 g/mol. Its IUPAC name is N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide
• PubChem CID: 155403476
• Molecular Formula: C29H27F2N7O2S
• Molecular Weight: 575.65 g/mol
• Exact Mass: 575.19
• IUPAC Name: N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide
• SMILES: O=S(=O)(Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C5CCNCC5)c4)ccc23)c1)C1CC1
• InChI: InChI=1S/C29H27F2N7O2S/c30-22-12-27(31)29(33-14-22)20-9-19(10-23(11-20)36-41(39,40)25-2-3-25)26-15-35-38-16-18(1-4-28(26)38)21-13-34-37(17-21)24-5-7-32-8-6-24/h1,4,9-17,24-25,32,36H,2-3,5-8H2
• InChIKey: OMADNYWWZWWQFJ-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 106.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.65
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide (CID 155403476) is N-[3-(3,5-difluoro-2-pyridinyl)-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-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide?

The canonical SMILES for N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide is O=S(=O)(Nc1cc(-c2ncc(F)cc2F)cc(-c2cnn3cc(-c4cnn(C5CCNCC5)c4)ccc23)c1)C1CC1.

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

The InChIKey is OMADNYWWZWWQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N7O2S/c30-22-12-27(31)29(33-14-22)20-9-19(10-23(11-20)36-41(39,40)25-2-3-25)26-15-35-38-16-18(1-4-28(26)38)21-13-34-37(17-21)24-5-7-32-8-6-24/h1,4,9-17,24-25,32,36H,2-3,5-8H2.

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

N-[3-(3,5-difluoro-2-pyridinyl)-5-[6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide has a molecular weight of 575.65 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 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-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 155403476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).