3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

C27H30N10O — CID 137102128

About 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137102128) has the molecular formula C27H30N10O and a molecular weight of 510.61 g/mol. Its IUPAC name is 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 137102128
• Molecular Formula: C27H30N10O
• Molecular Weight: 510.61 g/mol
• Exact Mass: 510.26
• IUPAC Name: 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: CN1CCN(c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(OC7CCNCC7)c6)cc45)[nH]c23)CC1
• InChI: InChI=1S/C27H30N10O/c1-36-8-10-37(11-9-36)23-4-7-30-26-25(23)32-27(33-26)24-20-13-21(31-16-22(20)34-35-24)17-12-19(15-29-14-17)38-18-2-5-28-6-3-18/h4,7,12-16,18,28H,2-3,5-6,8-11H2,1H3,(H,34,35)(H,30,32,33)
• InChIKey: AIUUVANVUKGVJB-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 123.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.61
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 137102128) is 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is CN1CCN(c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(OC7CCNCC7)c6)cc45)[nH]c23)CC1.

What is the InChIKey of 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is AIUUVANVUKGVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N10O/c1-36-8-10-37(11-9-36)23-4-7-30-26-25(23)32-27(33-26)24-20-13-21(31-16-22(20)34-35-24)17-12-19(15-29-14-17)38-18-2-5-28-6-3-18/h4,7,12-16,18,28H,2-3,5-6,8-11H2,1H3,(H,34,35)(H,30,32,33).

What are the key properties of 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?

3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 510.61 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137102128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).