2-(dimethylamino)-N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide

C30H24FIN6O — CID 137103009

About 2-(dimethylamino)-N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide

2-(dimethylamino)-N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide (PubChem CID 137103009) has the molecular formula C30H24FIN6O and a molecular weight of 630.47 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 137103009
• Molecular Formula: C30H24FIN6O
• Molecular Weight: 630.47 g/mol
• Exact Mass: 630.10
• IUPAC Name: 2-(dimethylamino)-N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide
• SMILES: CN(C)CC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)n[nH]c3cc2I)c1
• InChI: InChI=1S/C30H24FIN6O/c1-38(2)16-29(39)34-20-10-18(14-33-15-20)22-11-24-27(13-25(22)32)36-37-30(24)28-12-23-21(4-3-5-26(23)35-28)17-6-8-19(31)9-7-17/h3-15,35H,16H2,1-2H3,(H,34,39)(H,36,37)
• InChIKey: AZPFXBJCBQXDST-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 89.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.47
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The IUPAC name of 2-(dimethylamino)-N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide (CID 137103009) is 2-(dimethylamino)-N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide.

What is the SMILES notation for 2-(dimethylamino)-N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The canonical SMILES for 2-(dimethylamino)-N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide is CN(C)CC(=O)Nc1cncc(-c2cc3c(-c4cc5c(-c6ccc(F)cc6)cccc5[nH]4)n[nH]c3cc2I)c1.

What is the InChIKey of 2-(dimethylamino)-N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide?

The InChIKey is AZPFXBJCBQXDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FIN6O/c1-38(2)16-29(39)34-20-10-18(14-33-15-20)22-11-24-27(13-25(22)32)36-37-30(24)28-12-23-21(4-3-5-26(23)35-28)17-6-8-19(31)9-7-17/h3-15,35H,16H2,1-2H3,(H,34,39)(H,36,37).

What are the key properties of 2-(dimethylamino)-N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide?

2-(dimethylamino)-N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide has a molecular weight of 630.47 g/mol, XLogP of 6.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-6-iodo-1H-indazol-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137103009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).