5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine

C26H24N10 — CID 145249053

About 5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine

5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine (PubChem CID 145249053) has the molecular formula C26H24N10 and a molecular weight of 476.55 g/mol. Its IUPAC name is 5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine.

Molecular Properties

• Compound Name: 5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine
• PubChem CID: 145249053
• Molecular Formula: C26H24N10
• Molecular Weight: 476.55 g/mol
• Exact Mass: 476.22
• IUPAC Name: 5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine
• SMILES: C=C(CCC)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-n6cnc(C)c6)cncc5[nH]4)c3n2)c1
• InChI: InChI=1S/C26H24N10/c1-4-5-15(2)30-18-8-17(9-27-10-18)19-6-7-20-24(31-19)25(35-34-20)26-32-21-11-28-12-22(23(21)33-26)36-13-16(3)29-14-36/h6-14,30H,2,4-5H2,1,3H3,(H,32,33)(H,34,35)
• InChIKey: LWTKHWBFQZLCLX-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 125.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.55
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine?

The IUPAC name of 5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine (CID 145249053) is 5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine.

What is the SMILES notation for 5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine?

The canonical SMILES for 5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine is C=C(CCC)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-n6cnc(C)c6)cncc5[nH]4)c3n2)c1.

What is the InChIKey of 5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine?

The InChIKey is LWTKHWBFQZLCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N10/c1-4-5-15(2)30-18-8-17(9-27-10-18)19-6-7-20-24(31-19)25(35-34-20)26-32-21-11-28-12-22(23(21)33-26)36-13-16(3)29-14-36/h6-14,30H,2,4-5H2,1,3H3,(H,32,33)(H,34,35).

What are the key properties of 5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine?

5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine has a molecular weight of 476.55 g/mol, XLogP of 5.18, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-pent-1-en-2-ylpyridin-3-amine is sourced from PubChem (CID 145249053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).