N-[5-[3-[7-[(dimethylamino)methyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide

C21H21N9O2S — CID 137082797

About N-[5-[3-[7-[(dimethylamino)methyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide

N-[5-[3-[7-[(dimethylamino)methyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 137082797) has the molecular formula C21H21N9O2S and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[5-[3-[7-[(dimethylamino)methyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-[(dimethylamino)methyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide
• PubChem CID: 137082797
• Molecular Formula: C21H21N9O2S
• Molecular Weight: 463.53 g/mol
• Exact Mass: 463.15
• IUPAC Name: N-[5-[3-[7-[(dimethylamino)methyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide
• SMILES: CN(C)Cc1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NS(C)(=O)=O)c5)cc34)nc12
• InChI: InChI=1S/C21H21N9O2S/c1-30(2)11-14-7-23-10-17-18(14)26-21(25-17)19-16-5-13(8-24-20(16)28-27-19)12-4-15(9-22-6-12)29-33(3,31)32/h4-10,29H,11H2,1-3H3,(H,25,26)(H,24,27,28)
• InChIKey: ALWSRYCUGVOEMK-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 145.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.53
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[(dimethylamino)methyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide?

The IUPAC name of N-[5-[3-[7-[(dimethylamino)methyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide (CID 137082797) is N-[5-[3-[7-[(dimethylamino)methyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide.

What is the SMILES notation for N-[5-[3-[7-[(dimethylamino)methyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide?

The canonical SMILES for N-[5-[3-[7-[(dimethylamino)methyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide is CN(C)Cc1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NS(C)(=O)=O)c5)cc34)nc12.

What is the InChIKey of N-[5-[3-[7-[(dimethylamino)methyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide?

The InChIKey is ALWSRYCUGVOEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9O2S/c1-30(2)11-14-7-23-10-17-18(14)26-21(25-17)19-16-5-13(8-24-20(16)28-27-19)12-4-15(9-22-6-12)29-33(3,31)32/h4-10,29H,11H2,1-3H3,(H,25,26)(H,24,27,28).

What are the key properties of N-[5-[3-[7-[(dimethylamino)methyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide?

N-[5-[3-[7-[(dimethylamino)methyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 463.53 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-[(dimethylamino)methyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 137082797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).