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

C28H33N9O — CID 137088266

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

N,N-dimethyl-2-[3-methyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenoxy]ethanamine (PubChem CID 137088266) has the molecular formula C28H33N9O and a molecular weight of 511.63 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-methyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenoxy]ethanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[3-methyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenoxy]ethanamine
• PubChem CID: 137088266
• Molecular Formula: C28H33N9O
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.28
• IUPAC Name: N,N-dimethyl-2-[3-methyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenoxy]ethanamine
• SMILES: Cc1cc(OCCN(C)C)cc(-c2ccc3[nH]nc(-c4nc5c(N6CCN(C)CC6)nccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C28H33N9O/c1-18-15-19(17-20(16-18)38-14-13-35(2)3)21-5-6-23-24(30-21)26(34-33-23)27-31-22-7-8-29-28(25(22)32-27)37-11-9-36(4)10-12-37/h5-8,15-17H,9-14H2,1-4H3,(H,31,32)(H,33,34)
• InChIKey: ZFRDYEFCNWEAMK-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 102.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-methyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenoxy]ethanamine?

The IUPAC name of N,N-dimethyl-2-[3-methyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenoxy]ethanamine (CID 137088266) is N,N-dimethyl-2-[3-methyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenoxy]ethanamine.

What is the SMILES notation for N,N-dimethyl-2-[3-methyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenoxy]ethanamine?

The canonical SMILES for N,N-dimethyl-2-[3-methyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenoxy]ethanamine is Cc1cc(OCCN(C)C)cc(-c2ccc3[nH]nc(-c4nc5c(N6CCN(C)CC6)nccc5[nH]4)c3n2)c1.

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

The InChIKey is ZFRDYEFCNWEAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N9O/c1-18-15-19(17-20(16-18)38-14-13-35(2)3)21-5-6-23-24(30-21)26(34-33-23)27-31-22-7-8-29-28(25(22)32-27)37-11-9-36(4)10-12-37/h5-8,15-17H,9-14H2,1-4H3,(H,31,32)(H,33,34).

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

N,N-dimethyl-2-[3-methyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenoxy]ethanamine has a molecular weight of 511.63 g/mol, XLogP of 3.56, 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-[3-methyl-5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenoxy]ethanamine is sourced from PubChem (CID 137088266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).