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

C28H24N6OS — CID 137216818

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

2-methyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 137216818) has the molecular formula C28H24N6OS and a molecular weight of 492.61 g/mol. Its IUPAC name is 2-methyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 137216818
• Molecular Formula: C28H24N6OS
• Molecular Weight: 492.61 g/mol
• Exact Mass: 492.17
• IUPAC Name: 2-methyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
• SMILES: Cc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C(C)C)c6)cc45)nc23)s1
• InChI: InChI=1S/C28H24N6OS/c1-15(2)28(35)30-19-11-18(13-29-14-19)17-8-9-22-21(12-17)26(34-33-22)27-31-23-6-4-5-20(25(23)32-27)24-10-7-16(3)36-24/h4-15H,1-3H3,(H,30,35)(H,31,32)(H,33,34)
• InChIKey: YPHDRXXFOLETRF-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 99.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.61
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (CID 137216818) is 2-methyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.

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

The canonical SMILES for 2-methyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is Cc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C(C)C)c6)cc45)nc23)s1.

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

The InChIKey is YPHDRXXFOLETRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6OS/c1-15(2)28(35)30-19-11-18(13-29-14-19)17-8-9-22-21(12-17)26(34-33-22)27-31-23-6-4-5-20(25(23)32-27)24-10-7-16(3)36-24/h4-15H,1-3H3,(H,30,35)(H,31,32)(H,33,34).

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

2-methyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide has a molecular weight of 492.61 g/mol, XLogP of 6.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[5-[3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137216818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).