1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine

C33H26N6 — CID 137115230

About 1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine

1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 137115230) has the molecular formula C33H26N6 and a molecular weight of 506.61 g/mol. Its IUPAC name is 1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine.

Molecular Properties

• Compound Name: 1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
• PubChem CID: 137115230
• Molecular Formula: C33H26N6
• Molecular Weight: 506.61 g/mol
• Exact Mass: 506.22
• IUPAC Name: 1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
• SMILES: c1ccc(CNCc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7ccccn7)cccc6[nH]5)c4c3)c2)cc1
• InChI: InChI=1S/C33H26N6/c1-2-7-22(8-3-1)18-34-19-23-15-25(21-35-20-23)24-12-13-31-28(16-24)33(39-38-31)32-17-27-26(9-6-11-30(27)37-32)29-10-4-5-14-36-29/h1-17,20-21,34,37H,18-19H2,(H,38,39)
• InChIKey: PQHCQHKPFFLHJY-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 82.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.61
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?

The IUPAC name of 1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (CID 137115230) is 1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine.

What is the SMILES notation for 1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?

The canonical SMILES for 1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is c1ccc(CNCc2cncc(-c3ccc4[nH]nc(-c5cc6c(-c7ccccn7)cccc6[nH]5)c4c3)c2)cc1.

What is the InChIKey of 1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?

The InChIKey is PQHCQHKPFFLHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N6/c1-2-7-22(8-3-1)18-34-19-23-15-25(21-35-20-23)24-12-13-31-28(16-24)33(39-38-31)32-17-27-26(9-6-11-30(27)37-32)29-10-4-5-14-36-29/h1-17,20-21,34,37H,18-19H2,(H,38,39).

What are the key properties of 1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?

1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 506.61 g/mol, XLogP of 7.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 137115230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).