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

C29H27N7O — CID 137115955

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

3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide (PubChem CID 137115955) has the molecular formula C29H27N7O and a molecular weight of 489.58 g/mol. Its IUPAC name is 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
• PubChem CID: 137115955
• Molecular Formula: C29H27N7O
• Molecular Weight: 489.58 g/mol
• Exact Mass: 489.23
• IUPAC Name: 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
• SMILES: Cc1cn(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC(C)C)c6)cc45)cc23)cn1
• InChI: InChI=1S/C29H27N7O/c1-17(2)9-28(37)32-21-10-20(13-30-14-21)19-7-8-25-23(11-19)29(35-34-25)26-12-22-24(33-26)5-4-6-27(22)36-15-18(3)31-16-36/h4-8,10-17,33H,9H2,1-3H3,(H,32,37)(H,34,35)
• InChIKey: IYYFKUUXSZEXQL-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 104.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.58
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide (CID 137115955) is 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide.

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

The canonical SMILES for 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide is Cc1cn(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)CC(C)C)c6)cc45)cc23)cn1.

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

The InChIKey is IYYFKUUXSZEXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O/c1-17(2)9-28(37)32-21-10-20(13-30-14-21)19-7-8-25-23(11-19)29(35-34-25)26-12-22-24(33-26)5-4-6-27(22)36-15-18(3)31-16-36/h4-8,10-17,33H,9H2,1-3H3,(H,32,37)(H,34,35).

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

3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide has a molecular weight of 489.58 g/mol, XLogP of 6.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 137115955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).