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

C27H25N9 — CID 136643330

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

7-(4-methylimidazol-1-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine (PubChem CID 136643330) has the molecular formula C27H25N9 and a molecular weight of 475.56 g/mol. Its IUPAC name is 7-(4-methylimidazol-1-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 7-(4-methylimidazol-1-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
• PubChem CID: 136643330
• Molecular Formula: C27H25N9
• Molecular Weight: 475.56 g/mol
• Exact Mass: 475.22
• IUPAC Name: 7-(4-methylimidazol-1-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
• SMILES: Cc1cn(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)cc45)nc23)cn1
• InChI: InChI=1S/C27H25N9/c1-17-14-36(16-30-17)24-13-29-12-23-26(24)32-27(31-23)25-21-9-19(4-5-22(21)33-34-25)20-8-18(10-28-11-20)15-35-6-2-3-7-35/h4-5,8-14,16H,2-3,6-7,15H2,1H3,(H,31,32)(H,33,34)
• InChIKey: LAYRBBMHDGZNMQ-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 104.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.56
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-(4-methylimidazol-1-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine (CID 136643330) is 7-(4-methylimidazol-1-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for 7-(4-methylimidazol-1-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine is Cc1cn(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)cc45)nc23)cn1.

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

The InChIKey is LAYRBBMHDGZNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N9/c1-17-14-36(16-30-17)24-13-29-12-23-26(24)32-27(31-23)25-21-9-19(4-5-22(21)33-34-25)20-8-18(10-28-11-20)15-35-6-2-3-7-35/h4-5,8-14,16H,2-3,6-7,15H2,1H3,(H,31,32)(H,33,34).

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

7-(4-methylimidazol-1-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 475.56 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-methylimidazol-1-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136643330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).