N-[(2R)-1-[1-diazenyl-5-[5-[2-(imino-λ3-iodanyl)oxyphenyl]pyrimidine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(imino-λ3-iodanyl)-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

C30H30I2N10O4 — CID 143931595

About N-[(2R)-1-[1-diazenyl-5-[5-[2-(imino-λ3-iodanyl)oxyphenyl]pyrimidine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(imino-λ3-iodanyl)-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

N-[(2R)-1-[1-diazenyl-5-[5-[2-(imino-λ3-iodanyl)oxyphenyl]pyrimidine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(imino-λ3-iodanyl)-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide (PubChem CID 143931595) has the molecular formula C30H30I2N10O4 and a molecular weight of 848.44 g/mol. Its IUPAC name is N-[(2R)-1-[1-diazenyl-5-[5-[2-(imino-λ3-iodanyl)oxyphenyl]pyrimidine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(imino-λ3-iodanyl)-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[1-diazenyl-5-[5-[2-(imino-λ3-iodanyl)oxyphenyl]pyrimidine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(imino-λ3-iodanyl)-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 143931595
• Molecular Formula: C30H30I2N10O4
• Molecular Weight: 848.44 g/mol
• Exact Mass: 848.05
• IUPAC Name: N-[(2R)-1-[1-diazenyl-5-[5-[2-(imino-λ3-iodanyl)oxyphenyl]pyrimidine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(imino-λ3-iodanyl)-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
• SMILES: [H]/N=N/C12CC(CN1C(=O)[C@@H](NC(=O)c1cc3ccccc3[nH]1)C(C)(C)/I=N/[H])N(C(=O)c1ncc(-c3ccccc3O/I=N/[H])cn1)C2
• InChI: InChI=1S/C30H30I2N10O4/c1-29(2,31-33)24(39-26(43)22-11-17-7-3-5-9-21(17)38-22)27(44)42-15-19-12-30(42,40-35)16-41(19)28(45)25-36-13-18(14-37-25)20-8-4-6-10-23(20)46-32-34/h3-11,13-14,19,24,33-35,38H,12,15-16H2,1-2H3,(H,39,43)/b40-35+/t19?,24-,30?/m1/s1
• InChIKey: OBCOCYWFTPRRGI-JDYQTYFESA-N
• XLogP: 5.75
• TPSA: 204.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.44
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[1-diazenyl-5-[5-[2-(imino-λ3-iodanyl)oxyphenyl]pyrimidine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(imino-λ3-iodanyl)-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?

The IUPAC name of N-[(2R)-1-[1-diazenyl-5-[5-[2-(imino-λ3-iodanyl)oxyphenyl]pyrimidine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(imino-λ3-iodanyl)-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide (CID 143931595) is N-[(2R)-1-[1-diazenyl-5-[5-[2-(imino-λ3-iodanyl)oxyphenyl]pyrimidine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(imino-λ3-iodanyl)-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(2R)-1-[1-diazenyl-5-[5-[2-(imino-λ3-iodanyl)oxyphenyl]pyrimidine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(imino-λ3-iodanyl)-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?

The canonical SMILES for N-[(2R)-1-[1-diazenyl-5-[5-[2-(imino-λ3-iodanyl)oxyphenyl]pyrimidine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(imino-λ3-iodanyl)-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide is [H]/N=N/C12CC(CN1C(=O)[C@@H](NC(=O)c1cc3ccccc3[nH]1)C(C)(C)/I=N/[H])N(C(=O)c1ncc(-c3ccccc3O/I=N/[H])cn1)C2.

What is the InChIKey of N-[(2R)-1-[1-diazenyl-5-[5-[2-(imino-λ3-iodanyl)oxyphenyl]pyrimidine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(imino-λ3-iodanyl)-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?

The InChIKey is OBCOCYWFTPRRGI-JDYQTYFESA-N. The full InChI is InChI=1S/C30H30I2N10O4/c1-29(2,31-33)24(39-26(43)22-11-17-7-3-5-9-21(17)38-22)27(44)42-15-19-12-30(42,40-35)16-41(19)28(45)25-36-13-18(14-37-25)20-8-4-6-10-23(20)46-32-34/h3-11,13-14,19,24,33-35,38H,12,15-16H2,1-2H3,(H,39,43)/b40-35+/t19?,24-,30?/m1/s1.

What are the key properties of N-[(2R)-1-[1-diazenyl-5-[5-[2-(imino-λ3-iodanyl)oxyphenyl]pyrimidine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(imino-λ3-iodanyl)-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?

N-[(2R)-1-[1-diazenyl-5-[5-[2-(imino-λ3-iodanyl)oxyphenyl]pyrimidine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(imino-λ3-iodanyl)-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 848.44 g/mol, XLogP of 5.75, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[1-diazenyl-5-[5-[2-(imino-λ3-iodanyl)oxyphenyl]pyrimidine-2-carbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(imino-λ3-iodanyl)-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 143931595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).