N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-propan-2-ylbenzenesulfonamide

C24H21F2N7O3S — CID 154634918

About N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-propan-2-ylbenzenesulfonamide

N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-propan-2-ylbenzenesulfonamide (PubChem CID 154634918) has the molecular formula C24H21F2N7O3S and a molecular weight of 525.54 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-propan-2-ylbenzenesulfonamide
• PubChem CID: 154634918
• Molecular Formula: C24H21F2N7O3S
• Molecular Weight: 525.54 g/mol
• Exact Mass: 525.14
• IUPAC Name: N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-propan-2-ylbenzenesulfonamide
• SMILES: COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5cccc(C(C)C)c5)c4F)nn3)cc12
• InChI: InChI=1S/C24H21F2N7O3S/c1-13(2)14-5-4-6-16(9-14)37(34,35)31-19-8-7-18(25)22(21(19)26)33-12-20(28-32-33)15-10-17-23(27-11-15)29-30-24(17)36-3/h4-13,31H,1-3H3,(H,27,29,30)
• InChIKey: RDDZCQXKIJXMQN-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 127.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.54
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-propan-2-ylbenzenesulfonamide?

The IUPAC name of N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-propan-2-ylbenzenesulfonamide (CID 154634918) is N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-propan-2-ylbenzenesulfonamide.

What is the SMILES notation for N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-propan-2-ylbenzenesulfonamide?

The canonical SMILES for N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-propan-2-ylbenzenesulfonamide is COc1n[nH]c2ncc(-c3cn(-c4c(F)ccc(NS(=O)(=O)c5cccc(C(C)C)c5)c4F)nn3)cc12.

What is the InChIKey of N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-propan-2-ylbenzenesulfonamide?

The InChIKey is RDDZCQXKIJXMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N7O3S/c1-13(2)14-5-4-6-16(9-14)37(34,35)31-19-8-7-18(25)22(21(19)26)33-12-20(28-32-33)15-10-17-23(27-11-15)29-30-24(17)36-3/h4-13,31H,1-3H3,(H,27,29,30).

What are the key properties of N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-propan-2-ylbenzenesulfonamide?

N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-propan-2-ylbenzenesulfonamide has a molecular weight of 525.54 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 154634918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).