formaldehyde;methanamine;2-methoxy-1-[(2S)-2-[5-[6-[6-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]pyridazin-3-yl]pyridazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;methyl N-(2-oxo-1-phenylethyl)carbamate

C44H52N12O6 — CID 143630790

About formaldehyde;methanamine;2-methoxy-1-[(2S)-2-[5-[6-[6-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]pyridazin-3-yl]pyridazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;methyl N-(2-oxo-1-phenylethyl)carbamate

formaldehyde;methanamine;2-methoxy-1-[(2S)-2-[5-[6-[6-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]pyridazin-3-yl]pyridazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;methyl N-(2-oxo-1-phenylethyl)carbamate (PubChem CID 143630790) has the molecular formula C44H52N12O6 and a molecular weight of 844.98 g/mol. Its IUPAC name is formaldehyde;methanamine;2-methoxy-1-[(2S)-2-[5-[6-[6-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]pyridazin-3-yl]pyridazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;methyl N-(2-oxo-1-phenylethyl)carbamate.

Molecular Properties

• Compound Name: formaldehyde;methanamine;2-methoxy-1-[(2S)-2-[5-[6-[6-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]pyridazin-3-yl]pyridazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;methyl N-(2-oxo-1-phenylethyl)carbamate
• PubChem CID: 143630790
• Molecular Formula: C44H52N12O6
• Molecular Weight: 844.98 g/mol
• Exact Mass: 844.41
• IUPAC Name: formaldehyde;methanamine;2-methoxy-1-[(2S)-2-[5-[6-[6-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]pyridazin-3-yl]pyridazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;methyl N-(2-oxo-1-phenylethyl)carbamate
• SMILES: C=O.CN.COC(=O)NC(C=O)c1ccccc1.COC(C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C)[nH]4)nn3)nn2)[nH]1)c1ccccc1
• InChI: InChI=1S/C32H34N10O2.C10H11NO3.CH5N.CH2O/c1-41-16-6-10-27(41)30-33-18-25(35-30)23-14-12-21(37-39-23)22-13-15-24(40-38-22)26-19-34-31(36-26)28-11-7-17-42(28)32(43)29(44-2)20-8-4-3-5-9-20;1-14-10(13)11-9(7-12)8-5-3-2-4-6-8;2*1-2/h3-5,8-9,12-15,18-19,27-29H,6-7,10-11,16-17H2,1-2H3,(H,33,35)(H,34,36);2-7,9H,1H3,(H,11,13);2H2,1H3;1H2/t27-,28-,29?;;;/m0.../s1
• InChIKey: SXYANNMURRDBFO-LDUMQOFESA-N
• XLogP: 5.20
• TPSA: 240.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	844.98
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methanamine;2-methoxy-1-[(2S)-2-[5-[6-[6-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]pyridazin-3-yl]pyridazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;methyl N-(2-oxo-1-phenylethyl)carbamate?

The IUPAC name of formaldehyde;methanamine;2-methoxy-1-[(2S)-2-[5-[6-[6-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]pyridazin-3-yl]pyridazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;methyl N-(2-oxo-1-phenylethyl)carbamate (CID 143630790) is formaldehyde;methanamine;2-methoxy-1-[(2S)-2-[5-[6-[6-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]pyridazin-3-yl]pyridazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;methyl N-(2-oxo-1-phenylethyl)carbamate.

What is the SMILES notation for formaldehyde;methanamine;2-methoxy-1-[(2S)-2-[5-[6-[6-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]pyridazin-3-yl]pyridazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;methyl N-(2-oxo-1-phenylethyl)carbamate?

The canonical SMILES for formaldehyde;methanamine;2-methoxy-1-[(2S)-2-[5-[6-[6-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]pyridazin-3-yl]pyridazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;methyl N-(2-oxo-1-phenylethyl)carbamate is C=O.CN.COC(=O)NC(C=O)c1ccccc1.COC(C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C)[nH]4)nn3)nn2)[nH]1)c1ccccc1.

What is the InChIKey of formaldehyde;methanamine;2-methoxy-1-[(2S)-2-[5-[6-[6-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]pyridazin-3-yl]pyridazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;methyl N-(2-oxo-1-phenylethyl)carbamate?

The InChIKey is SXYANNMURRDBFO-LDUMQOFESA-N. The full InChI is InChI=1S/C32H34N10O2.C10H11NO3.CH5N.CH2O/c1-41-16-6-10-27(41)30-33-18-25(35-30)23-14-12-21(37-39-23)22-13-15-24(40-38-22)26-19-34-31(36-26)28-11-7-17-42(28)32(43)29(44-2)20-8-4-3-5-9-20;1-14-10(13)11-9(7-12)8-5-3-2-4-6-8;2*1-2/h3-5,8-9,12-15,18-19,27-29H,6-7,10-11,16-17H2,1-2H3,(H,33,35)(H,34,36);2-7,9H,1H3,(H,11,13);2H2,1H3;1H2/t27-,28-,29?;;;/m0.../s1.

What are the key properties of formaldehyde;methanamine;2-methoxy-1-[(2S)-2-[5-[6-[6-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]pyridazin-3-yl]pyridazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;methyl N-(2-oxo-1-phenylethyl)carbamate?

formaldehyde;methanamine;2-methoxy-1-[(2S)-2-[5-[6-[6-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]pyridazin-3-yl]pyridazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;methyl N-(2-oxo-1-phenylethyl)carbamate has a molecular weight of 844.98 g/mol, XLogP of 5.20, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for formaldehyde;methanamine;2-methoxy-1-[(2S)-2-[5-[6-[6-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]pyridazin-3-yl]pyridazin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone;methyl N-(2-oxo-1-phenylethyl)carbamate is sourced from PubChem (CID 143630790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).