2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1S)-1-(1-methylpyrrol-2-yl)ethyl]acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide

C73H82F4N20O12 — CID 157235046

About 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1S)-1-(1-methylpyrrol-2-yl)ethyl]acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide

2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1S)-1-(1-methylpyrrol-2-yl)ethyl]acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide (PubChem CID 157235046) has the molecular formula C73H82F4N20O12 and a molecular weight of 1507.58 g/mol. Its IUPAC name is 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1S)-1-(1-methylpyrrol-2-yl)ethyl]acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1S)-1-(1-methylpyrrol-2-yl)ethyl]acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
• PubChem CID: 157235046
• Molecular Formula: C73H82F4N20O12
• Molecular Weight: 1507.58 g/mol
• Exact Mass: 1506.64
• IUPAC Name: 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1S)-1-(1-methylpyrrol-2-yl)ethyl]acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
• SMILES: CCNC(=O)Cn1nc(-c2ccc(N3CC4(COC4)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OCCCN(C)C)nc2)ccc1=O.C[C@H](NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O)c1cccn1C.Cn1cccc1CNC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O
• InChI: InChI=1S/C19H19F2N5O3.C18H17F2N5O3.C18H21N5O3.C18H25N5O3/c1-12(15-4-3-9-25(15)2)23-16(27)11-26-18(28)8-6-14(24-26)13-5-7-17(22-10-13)29-19(20)21;1-24-8-2-3-13(24)10-21-15(26)11-25-17(27)7-5-14(23-25)12-4-6-16(22-9-12)28-18(19)20;1-2-19-16(24)8-23-17(25)6-4-14(21-23)13-3-5-15(20-7-13)22-9-18(10-22)11-26-12-18;1-4-19-16(24)13-23-18(25)9-7-15(21-23)14-6-8-17(20-12-14)26-11-5-10-22(2)3/h3-10,12,19H,11H2,1-2H3,(H,23,27);2-9,18H,10-11H2,1H3,(H,21,26);3-7H,2,8-12H2,1H3,(H,19,24);6-9,12H,4-5,10-11,13H2,1-3H3,(H,19,24)/t12-;;;/m0.../s1
• InChIKey: AUNPGBHGMBHZBC-JNQXMBDASA-N
• XLogP: 4.73
• TPSA: 360.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1507.58
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1S)-1-(1-methylpyrrol-2-yl)ethyl]acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?

The IUPAC name of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1S)-1-(1-methylpyrrol-2-yl)ethyl]acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide (CID 157235046) is 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1S)-1-(1-methylpyrrol-2-yl)ethyl]acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide.

What is the SMILES notation for 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1S)-1-(1-methylpyrrol-2-yl)ethyl]acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?

The canonical SMILES for 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1S)-1-(1-methylpyrrol-2-yl)ethyl]acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide is CCNC(=O)Cn1nc(-c2ccc(N3CC4(COC4)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OCCCN(C)C)nc2)ccc1=O.C[C@H](NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O)c1cccn1C.Cn1cccc1CNC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.

What is the InChIKey of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1S)-1-(1-methylpyrrol-2-yl)ethyl]acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?

The InChIKey is AUNPGBHGMBHZBC-JNQXMBDASA-N. The full InChI is InChI=1S/C19H19F2N5O3.C18H17F2N5O3.C18H21N5O3.C18H25N5O3/c1-12(15-4-3-9-25(15)2)23-16(27)11-26-18(28)8-6-14(24-26)13-5-7-17(22-10-13)29-19(20)21;1-24-8-2-3-13(24)10-21-15(26)11-25-17(27)7-5-14(23-25)12-4-6-16(22-9-12)28-18(19)20;1-2-19-16(24)8-23-17(25)6-4-14(21-23)13-3-5-15(20-7-13)22-9-18(10-22)11-26-12-18;1-4-19-16(24)13-23-18(25)9-7-15(21-23)14-6-8-17(20-12-14)26-11-5-10-22(2)3/h3-10,12,19H,11H2,1-2H3,(H,23,27);2-9,18H,10-11H2,1H3,(H,21,26);3-7H,2,8-12H2,1H3,(H,19,24);6-9,12H,4-5,10-11,13H2,1-3H3,(H,19,24)/t12-;;;/m0.../s1.

What are the key properties of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1S)-1-(1-methylpyrrol-2-yl)ethyl]acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?

2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1S)-1-(1-methylpyrrol-2-yl)ethyl]acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 1507.58 g/mol, XLogP of 4.73, 28 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1S)-1-(1-methylpyrrol-2-yl)ethyl]acetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(1-methylpyrrol-2-yl)methyl]acetamide;2-[3-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[3-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 157235046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).