N-[2-methoxy-5-[3-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide

C26H25N5O3S — CID 154119487

About N-[2-methoxy-5-[3-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide

N-[2-methoxy-5-[3-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide (PubChem CID 154119487) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is N-[2-methoxy-5-[3-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-methoxy-5-[3-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
• PubChem CID: 154119487
• Molecular Formula: C26H25N5O3S
• Molecular Weight: 487.59 g/mol
• Exact Mass: 487.17
• IUPAC Name: N-[2-methoxy-5-[3-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
• SMILES: COc1ccc(-c2cnc3[nH]cc(-c4cnn(C(C)c5ccccc5)c4)c3c2)cc1NS(C)(=O)=O
• InChI: InChI=1S/C26H25N5O3S/c1-17(18-7-5-4-6-8-18)31-16-21(14-29-31)23-15-28-26-22(23)11-20(13-27-26)19-9-10-25(34-2)24(12-19)30-35(3,32)33/h4-17,30H,1-3H3,(H,27,28)
• InChIKey: NXKDIRIHYMRCPR-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 101.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.59
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[3-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide?

The IUPAC name of N-[2-methoxy-5-[3-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide (CID 154119487) is N-[2-methoxy-5-[3-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[2-methoxy-5-[3-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide?

The canonical SMILES for N-[2-methoxy-5-[3-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide is COc1ccc(-c2cnc3[nH]cc(-c4cnn(C(C)c5ccccc5)c4)c3c2)cc1NS(C)(=O)=O.

What is the InChIKey of N-[2-methoxy-5-[3-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide?

The InChIKey is NXKDIRIHYMRCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3S/c1-17(18-7-5-4-6-8-18)31-16-21(14-29-31)23-15-28-26-22(23)11-20(13-27-26)19-9-10-25(34-2)24(12-19)30-35(3,32)33/h4-17,30H,1-3H3,(H,27,28).

What are the key properties of N-[2-methoxy-5-[3-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide?

N-[2-methoxy-5-[3-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide has a molecular weight of 487.59 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methoxy-5-[3-[1-(1-phenylethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 154119487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).