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

C26H23N9O — CID 136947188

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

N,N-dimethyl-2-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine (PubChem CID 136947188) has the molecular formula C26H23N9O and a molecular weight of 477.53 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
• PubChem CID: 136947188
• Molecular Formula: C26H23N9O
• Molecular Weight: 477.53 g/mol
• Exact Mass: 477.20
• IUPAC Name: N,N-dimethyl-2-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
• SMILES: CN(C)CCOc1cncc(-c2cc3c(-c4nc5c(-c6cccnc6)cncc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C26H23N9O/c1-35(2)6-7-36-18-8-17(11-28-12-18)21-9-19-22(15-30-21)33-34-25(19)26-31-23-14-29-13-20(24(23)32-26)16-4-3-5-27-10-16/h3-5,8-15H,6-7H2,1-2H3,(H,31,32)(H,33,34)
• InChIKey: LILXUYACOYBQJZ-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 121.39 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	477.53
LogP ≤ 5	3.96
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-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine?

The IUPAC name of N,N-dimethyl-2-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine (CID 136947188) is N,N-dimethyl-2-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine.

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

The canonical SMILES for N,N-dimethyl-2-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine is CN(C)CCOc1cncc(-c2cc3c(-c4nc5c(-c6cccnc6)cncc5[nH]4)n[nH]c3cn2)c1.

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

The InChIKey is LILXUYACOYBQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N9O/c1-35(2)6-7-36-18-8-17(11-28-12-18)21-9-19-22(15-30-21)33-34-25(19)26-31-23-14-29-13-20(24(23)32-26)16-4-3-5-27-10-16/h3-5,8-15H,6-7H2,1-2H3,(H,31,32)(H,33,34).

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

N,N-dimethyl-2-[[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine has a molecular weight of 477.53 g/mol, XLogP of 3.96, 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-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 136947188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).