N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methoxy-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-[3-(prop-1-en-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide

C66H80N16O8 — CID 157227300

About N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methoxy-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-[3-(prop-1-en-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methoxy-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-[3-(prop-1-en-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide (PubChem CID 157227300) has the molecular formula C66H80N16O8 and a molecular weight of 1225.47 g/mol. Its IUPAC name is N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methoxy-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-[3-(prop-1-en-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methoxy-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-[3-(prop-1-en-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
• PubChem CID: 157227300
• Molecular Formula: C66H80N16O8
• Molecular Weight: 1225.47 g/mol
• Exact Mass: 1224.63
• IUPAC Name: N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methoxy-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-[3-(prop-1-en-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
• SMILES: C=C(C)Nc1cccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)c1.COc1cc(N2CC[C@@H](NC(C)=O)C2)c2nc(C)c(-c3ccc(OC)c(OC)c3)n2n1.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)ccnn23)cc1OC
• InChI: InChI=1S/C23H28N6O.C22H27N5O4.C21H25N5O3/c1-14(2)24-19-8-6-7-18(12-19)22-16(4)25-23-21(11-15(3)27-29(22)23)28-10-9-20(13-28)26-17(5)30;1-13-21(15-6-7-18(29-3)19(10-15)30-4)27-22(23-13)17(11-20(25-27)31-5)26-9-8-16(12-26)24-14(2)28;1-13-20(15-5-6-18(28-3)19(11-15)29-4)26-21(23-13)17(7-9-22-26)25-10-8-16(12-25)24-14(2)27/h6-8,11-12,20,24H,1,9-10,13H2,2-5H3,(H,26,30);6-7,10-11,16H,8-9,12H2,1-5H3,(H,24,28);5-7,9,11,16H,8,10,12H2,1-4H3,(H,24,27)/t20-;2*16-/m111/s1
• InChIKey: ATRMZHPSSJCYCI-SDSNDTRFSA-N
• XLogP: 8.56
• TPSA: 245.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1225.47
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methoxy-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-[3-(prop-1-en-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?

The IUPAC name of N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methoxy-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-[3-(prop-1-en-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide (CID 157227300) is N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methoxy-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-[3-(prop-1-en-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide.

What is the SMILES notation for N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methoxy-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-[3-(prop-1-en-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?

The canonical SMILES for N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methoxy-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-[3-(prop-1-en-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide is C=C(C)Nc1cccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)cc(C)nn23)c1.COc1cc(N2CC[C@@H](NC(C)=O)C2)c2nc(C)c(-c3ccc(OC)c(OC)c3)n2n1.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(C)=O)C4)ccnn23)cc1OC.

What is the InChIKey of N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methoxy-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-[3-(prop-1-en-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?

The InChIKey is ATRMZHPSSJCYCI-SDSNDTRFSA-N. The full InChI is InChI=1S/C23H28N6O.C22H27N5O4.C21H25N5O3/c1-14(2)24-19-8-6-7-18(12-19)22-16(4)25-23-21(11-15(3)27-29(22)23)28-10-9-20(13-28)26-17(5)30;1-13-21(15-6-7-18(29-3)19(10-15)30-4)27-22(23-13)17(11-20(25-27)31-5)26-9-8-16(12-26)24-14(2)28;1-13-20(15-5-6-18(28-3)19(11-15)29-4)26-21(23-13)17(7-9-22-26)25-10-8-16(12-25)24-14(2)27/h6-8,11-12,20,24H,1,9-10,13H2,2-5H3,(H,26,30);6-7,10-11,16H,8-9,12H2,1-5H3,(H,24,28);5-7,9,11,16H,8,10,12H2,1-4H3,(H,24,27)/t20-;2*16-/m111/s1.

What are the key properties of N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methoxy-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-[3-(prop-1-en-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide?

N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methoxy-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-[3-(prop-1-en-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 1225.47 g/mol, XLogP of 8.56, 16 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methoxy-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-[3-(prop-1-en-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 157227300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).