N-[7-[2-[6-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]-1H-indol-2-yl]-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine

C41H26N10S — CID 154981503

About N-[7-[2-[6-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]-1H-indol-2-yl]-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine

N-[7-[2-[6-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]-1H-indol-2-yl]-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (PubChem CID 154981503) has the molecular formula C41H26N10S and a molecular weight of 690.80 g/mol. Its IUPAC name is N-[7-[2-[6-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]-1H-indol-2-yl]-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine.

Molecular Properties

• Compound Name: N-[7-[2-[6-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]-1H-indol-2-yl]-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
• PubChem CID: 154981503
• Molecular Formula: C41H26N10S
• Molecular Weight: 690.80 g/mol
• Exact Mass: 690.21
• IUPAC Name: N-[7-[2-[6-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]-1H-indol-2-yl]-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
• SMILES: c1cnc2cc(-c3ccncc3)nc(Nc3ccc4cc(-c5cc(-c6cc7ncccc7c(Nc7ccc8ncsc8c7)n6)ccn5)[nH]c4c3)c2c1
• InChI: InChI=1S/C41H26N10S/c1-3-29-35(43-12-1)21-33(24-9-14-42-15-10-24)50-40(29)47-27-6-5-25-18-38(49-32(25)19-27)37-17-26(11-16-45-37)34-22-36-30(4-2-13-44-36)41(51-34)48-28-7-8-31-39(20-28)52-23-46-31/h1-23,49H,(H,47,50)(H,48,51)
• InChIKey: LEHIVYKEKGHTNL-UHFFFAOYSA-N
• XLogP: 9.94
• TPSA: 130.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.80
LogP ≤ 5	9.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[7-[2-[6-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]-1H-indol-2-yl]-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine?

The IUPAC name of N-[7-[2-[6-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]-1H-indol-2-yl]-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (CID 154981503) is N-[7-[2-[6-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]-1H-indol-2-yl]-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine.

What is the SMILES notation for N-[7-[2-[6-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]-1H-indol-2-yl]-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine?

The canonical SMILES for N-[7-[2-[6-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]-1H-indol-2-yl]-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine is c1cnc2cc(-c3ccncc3)nc(Nc3ccc4cc(-c5cc(-c6cc7ncccc7c(Nc7ccc8ncsc8c7)n6)ccn5)[nH]c4c3)c2c1.

What is the InChIKey of N-[7-[2-[6-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]-1H-indol-2-yl]-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine?

The InChIKey is LEHIVYKEKGHTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N10S/c1-3-29-35(43-12-1)21-33(24-9-14-42-15-10-24)50-40(29)47-27-6-5-25-18-38(49-32(25)19-27)37-17-26(11-16-45-37)34-22-36-30(4-2-13-44-36)41(51-34)48-28-7-8-31-39(20-28)52-23-46-31/h1-23,49H,(H,47,50)(H,48,51).

What are the key properties of N-[7-[2-[6-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]-1H-indol-2-yl]-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine?

N-[7-[2-[6-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]-1H-indol-2-yl]-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine has a molecular weight of 690.80 g/mol, XLogP of 9.94, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[2-[6-[(7-pyridin-4-yl-1,6-naphthyridin-5-yl)amino]-1H-indol-2-yl]-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 154981503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).