2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine

C27H23N7S — CID 137134087

About 2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine

2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 137134087) has the molecular formula C27H23N7S and a molecular weight of 477.60 g/mol. Its IUPAC name is 2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137134087
• Molecular Formula: C27H23N7S
• Molecular Weight: 477.60 g/mol
• Exact Mass: 477.17
• IUPAC Name: 2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
• SMILES: c1cc(-c2ccsc2)c2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)cc34)nc2n1
• InChI: InChI=1S/C27H23N7S/c1-2-9-34(8-1)15-17-11-20(14-28-13-17)18-3-4-23-22(12-18)25(33-32-23)27-30-24-21(19-6-10-35-16-19)5-7-29-26(24)31-27/h3-7,10-14,16H,1-2,8-9,15H2,(H,32,33)(H,29,30,31)
• InChIKey: PUSRKHYFBKDRJW-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.60
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (CID 137134087) is 2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine is c1cc(-c2ccsc2)c2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)cc34)nc2n1.

What is the InChIKey of 2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?

The InChIKey is PUSRKHYFBKDRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7S/c1-2-9-34(8-1)15-17-11-20(14-28-13-17)18-3-4-23-22(12-18)25(33-32-23)27-30-24-21(19-6-10-35-16-19)5-7-29-26(24)31-27/h3-7,10-14,16H,1-2,8-9,15H2,(H,32,33)(H,29,30,31).

What are the key properties of 2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?

2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 477.60 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137134087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).