N-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

C33H27N5S — CID 137116530

About N-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine

N-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (PubChem CID 137116530) has the molecular formula C33H27N5S and a molecular weight of 525.68 g/mol. Its IUPAC name is N-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.

Molecular Properties

• Compound Name: N-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
• PubChem CID: 137116530
• Molecular Formula: C33H27N5S
• Molecular Weight: 525.68 g/mol
• Exact Mass: 525.20
• IUPAC Name: N-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
• SMILES: Cc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCc7ccccc7)c6)cc45)cc23)s1
• InChI: InChI=1S/C33H27N5S/c1-21-10-13-32(39-21)26-8-5-9-29-27(26)16-31(36-29)33-28-15-24(11-12-30(28)37-38-33)25-14-23(19-35-20-25)18-34-17-22-6-3-2-4-7-22/h2-16,19-20,34,36H,17-18H2,1H3,(H,37,38)
• InChIKey: OIFFAQLOPWQLQU-UHFFFAOYSA-N
• XLogP: 8.10
• TPSA: 69.39 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	525.68
LogP ≤ 5	8.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine (CID 137116530) is N-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine.

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

The canonical SMILES for N-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is Cc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CNCc7ccccc7)c6)cc45)cc23)s1.

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

The InChIKey is OIFFAQLOPWQLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N5S/c1-21-10-13-32(39-21)26-8-5-9-29-27(26)16-31(36-29)33-28-15-24(11-12-30(28)37-38-33)25-14-23(19-35-20-25)18-34-17-22-6-3-2-4-7-22/h2-16,19-20,34,36H,17-18H2,1H3,(H,37,38).

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

N-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine has a molecular weight of 525.68 g/mol, XLogP of 8.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 137116530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).