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

C26H23N9O — CID 137312539

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

N,N-dimethyl-2-[[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine (PubChem CID 137312539) has the molecular formula C26H23N9O and a molecular weight of 477.53 g/mol. Its IUPAC name is N,N-dimethyl-2-[[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]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-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
• PubChem CID: 137312539
• Molecular Formula: C26H23N9O
• Molecular Weight: 477.53 g/mol
• Exact Mass: 477.20
• IUPAC Name: N,N-dimethyl-2-[[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine
• SMILES: CN(C)CCOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)nccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C26H23N9O/c1-35(2)10-11-36-18-12-17(14-28-15-18)19-5-6-21-24(30-19)25(34-33-21)26-31-20-7-9-29-22(23(20)32-26)16-4-3-8-27-13-16/h3-9,12-15H,10-11H2,1-2H3,(H,31,32)(H,33,34)
• InChIKey: ZBYBVPFEMFLJTM-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-(4-pyridin-3-yl-1H-imidazo[4,5-c]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-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine (CID 137312539) is N,N-dimethyl-2-[[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]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-(4-pyridin-3-yl-1H-imidazo[4,5-c]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-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine is CN(C)CCOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)nccc5[nH]4)c3n2)c1.

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

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

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

N,N-dimethyl-2-[[5-[3-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]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-(4-pyridin-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 137312539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).