2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1,2-dihydroimidazo[4,5-c]pyridin-3-amine

C25H27N11 — CID 121258625

About 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1,2-dihydroimidazo[4,5-c]pyridin-3-amine

2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1,2-dihydroimidazo[4,5-c]pyridin-3-amine (PubChem CID 121258625) has the molecular formula C25H27N11 and a molecular weight of 481.57 g/mol. Its IUPAC name is 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1,2-dihydroimidazo[4,5-c]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1,2-dihydroimidazo[4,5-c]pyridin-3-amine
• PubChem CID: 121258625
• Molecular Formula: C25H27N11
• Molecular Weight: 481.57 g/mol
• Exact Mass: 481.25
• IUPAC Name: 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1,2-dihydroimidazo[4,5-c]pyridin-3-amine
• SMILES: CCNCc1cncc(-c2cnc3n[nH]c(C4Nc5c(cncc5-n5cnc(C)c5)N4N)c3c2)c1C
• InChI: InChI=1S/C25H27N11/c1-4-27-6-17-7-28-9-19(15(17)3)16-5-18-22(33-34-24(18)30-8-16)25-32-23-20(35-12-14(2)31-13-35)10-29-11-21(23)36(25)26/h5,7-13,25,27,32H,4,6,26H2,1-3H3,(H,30,33,34)
• InChIKey: ZNCHJCMLEUXTBH-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 138.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.57
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1,2-dihydroimidazo[4,5-c]pyridin-3-amine?

The IUPAC name of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1,2-dihydroimidazo[4,5-c]pyridin-3-amine (CID 121258625) is 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1,2-dihydroimidazo[4,5-c]pyridin-3-amine.

What is the SMILES notation for 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1,2-dihydroimidazo[4,5-c]pyridin-3-amine?

The canonical SMILES for 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1,2-dihydroimidazo[4,5-c]pyridin-3-amine is CCNCc1cncc(-c2cnc3n[nH]c(C4Nc5c(cncc5-n5cnc(C)c5)N4N)c3c2)c1C.

What is the InChIKey of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1,2-dihydroimidazo[4,5-c]pyridin-3-amine?

The InChIKey is ZNCHJCMLEUXTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N11/c1-4-27-6-17-7-28-9-19(15(17)3)16-5-18-22(33-34-24(18)30-8-16)25-32-23-20(35-12-14(2)31-13-35)10-29-11-21(23)36(25)26/h5,7-13,25,27,32H,4,6,26H2,1-3H3,(H,30,33,34).

What are the key properties of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1,2-dihydroimidazo[4,5-c]pyridin-3-amine?

2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1,2-dihydroimidazo[4,5-c]pyridin-3-amine has a molecular weight of 481.57 g/mol, XLogP of 3.13, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1,2-dihydroimidazo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 121258625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).