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

C28H22FN7 — CID 136643200

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

7-(3-fluorophenyl)-2-[5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine (PubChem CID 136643200) has the molecular formula C28H22FN7 and a molecular weight of 475.53 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-2-[5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 7-(3-fluorophenyl)-2-[5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
• PubChem CID: 136643200
• Molecular Formula: C28H22FN7
• Molecular Weight: 475.53 g/mol
• Exact Mass: 475.19
• IUPAC Name: 7-(3-fluorophenyl)-2-[5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
• SMILES: Fc1cccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N7CCCC7)c6)cc45)nc23)c1
• InChI: InChI=1S/C28H22FN7/c29-20-5-3-4-18(10-20)23-15-31-16-25-26(23)33-28(32-25)27-22-12-17(6-7-24(22)34-35-27)19-11-21(14-30-13-19)36-8-1-2-9-36/h3-7,10-16H,1-2,8-9H2,(H,32,33)(H,34,35)
• InChIKey: HFMWHAUCYVHCIP-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 86.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.53
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-(3-fluorophenyl)-2-[5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine (CID 136643200) is 7-(3-fluorophenyl)-2-[5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for 7-(3-fluorophenyl)-2-[5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine is Fc1cccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(N7CCCC7)c6)cc45)nc23)c1.

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

The InChIKey is HFMWHAUCYVHCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN7/c29-20-5-3-4-18(10-20)23-15-31-16-25-26(23)33-28(32-25)27-22-12-17(6-7-24(22)34-35-27)19-11-21(14-30-13-19)36-8-1-2-9-36/h3-7,10-16H,1-2,8-9H2,(H,32,33)(H,34,35).

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

7-(3-fluorophenyl)-2-[5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 475.53 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-fluorophenyl)-2-[5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136643200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).