N,N-dimethyl-2-[[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine

C26H29N9O — CID 137042302

About N,N-dimethyl-2-[[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine

N,N-dimethyl-2-[[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine (PubChem CID 137042302) has the molecular formula C26H29N9O and a molecular weight of 483.58 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
• PubChem CID: 137042302
• Molecular Formula: C26H29N9O
• Molecular Weight: 483.58 g/mol
• Exact Mass: 483.25
• IUPAC Name: N,N-dimethyl-2-[[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
• SMILES: CN(C)CCOc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCCCC6)c5[nH]4)c3n2)c1
• InChI: InChI=1S/C26H29N9O/c1-34(2)12-13-36-18-14-17(15-27-16-18)19-6-7-20-22(29-19)24(33-32-20)26-30-23-21(8-9-28-25(23)31-26)35-10-4-3-5-11-35/h6-9,14-16H,3-5,10-13H2,1-2H3,(H,32,33)(H,28,30,31)
• InChIKey: YKTDLTSCLSNBQK-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 111.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.58
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine?

The IUPAC name of N,N-dimethyl-2-[[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine (CID 137042302) is N,N-dimethyl-2-[[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine.

What is the SMILES notation for N,N-dimethyl-2-[[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine?

The canonical SMILES for N,N-dimethyl-2-[[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine is CN(C)CCOc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(N6CCCCC6)c5[nH]4)c3n2)c1.

What is the InChIKey of N,N-dimethyl-2-[[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine?

The InChIKey is YKTDLTSCLSNBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O/c1-34(2)12-13-36-18-14-17(15-27-16-18)19-6-7-20-22(29-19)24(33-32-20)26-30-23-21(8-9-28-25(23)31-26)35-10-4-3-5-11-35/h6-9,14-16H,3-5,10-13H2,1-2H3,(H,32,33)(H,28,30,31).

What are the key properties of N,N-dimethyl-2-[[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine?

N,N-dimethyl-2-[[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine has a molecular weight of 483.58 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[[5-[3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 137042302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).