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

C28H31N9O — CID 137102287

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

3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137102287) has the molecular formula C28H31N9O and a molecular weight of 509.62 g/mol. Its IUPAC name is 3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 137102287
• Molecular Formula: C28H31N9O
• Molecular Weight: 509.62 g/mol
• Exact Mass: 509.27
• IUPAC Name: 3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
• SMILES: c1cc(N2CCCCC2)c2[nH]c(-c3n[nH]c4cnc(-c5cncc(OCCN6CCCC6)c5)cc34)nc2n1
• InChI: InChI=1S/C28H31N9O/c1-2-10-37(11-3-1)24-6-7-30-27-26(24)32-28(33-27)25-21-15-22(31-18-23(21)34-35-25)19-14-20(17-29-16-19)38-13-12-36-8-4-5-9-36/h6-7,14-18H,1-5,8-13H2,(H,34,35)(H,30,32,33)
• InChIKey: SJFDFNAYUFTGOX-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 111.74 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	509.62
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 137102287) is 3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

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

The canonical SMILES for 3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is c1cc(N2CCCCC2)c2[nH]c(-c3n[nH]c4cnc(-c5cncc(OCCN6CCCC6)c5)cc34)nc2n1.

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

The InChIKey is SJFDFNAYUFTGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N9O/c1-2-10-37(11-3-1)24-6-7-30-27-26(24)32-28(33-27)25-21-15-22(31-18-23(21)34-35-25)19-14-20(17-29-16-19)38-13-12-36-8-4-5-9-36/h6-7,14-18H,1-5,8-13H2,(H,34,35)(H,30,32,33).

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

3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 509.62 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-piperidin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137102287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).