N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenylacetamide

C76H80Cl2F3N15O10 — CID 161165080

About N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenylacetamide

N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenylacetamide (PubChem CID 161165080) has the molecular formula C76H80Cl2F3N15O10 and a molecular weight of 1491.47 g/mol. Its IUPAC name is N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenylacetamide
• PubChem CID: 161165080
• Molecular Formula: C76H80Cl2F3N15O10
• Molecular Weight: 1491.47 g/mol
• Exact Mass: 1489.55
• IUPAC Name: N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenylacetamide
• SMILES: COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)C(F)(F)F)C4)cc(Cl)nn23)cc1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)COc5ccccc5)C4)cc(Cl)nn23)cc1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)Cc5ccccc5)C4)cc(C)nn23)cc1OC
• InChI: InChI=1S/C28H31N5O3.C27H28ClN5O4.C21H21ClF3N5O3/c1-18-14-23(32-13-12-22(17-32)30-26(34)15-20-8-6-5-7-9-20)28-29-19(2)27(33(28)31-18)21-10-11-24(35-3)25(16-21)36-4;1-17-26(18-9-10-22(35-2)23(13-18)36-3)33-27(29-17)21(14-24(28)31-33)32-12-11-19(15-32)30-25(34)16-37-20-7-5-4-6-8-20;1-11-18(12-4-5-15(32-2)16(8-12)33-3)30-19(26-11)14(9-17(22)28-30)29-7-6-13(10-29)27-20(31)21(23,24)25/h5-11,14,16,22H,12-13,15,17H2,1-4H3,(H,30,34);4-10,13-14,19H,11-12,15-16H2,1-3H3,(H,30,34);4-5,8-9,13H,6-7,10H2,1-3H3,(H,27,31)/t22-;19-;13-/m111/s1
• InChIKey: UQKOTEZUYHIDHF-APIAQZMOSA-N
• XLogP: 11.75
• TPSA: 252.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1491.47
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenylacetamide?

The IUPAC name of N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenylacetamide (CID 161165080) is N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenylacetamide.

What is the SMILES notation for N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenylacetamide?

The canonical SMILES for N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenylacetamide is COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)C(F)(F)F)C4)cc(Cl)nn23)cc1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)COc5ccccc5)C4)cc(Cl)nn23)cc1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)Cc5ccccc5)C4)cc(C)nn23)cc1OC.

What is the InChIKey of N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenylacetamide?

The InChIKey is UQKOTEZUYHIDHF-APIAQZMOSA-N. The full InChI is InChI=1S/C28H31N5O3.C27H28ClN5O4.C21H21ClF3N5O3/c1-18-14-23(32-13-12-22(17-32)30-26(34)15-20-8-6-5-7-9-20)28-29-19(2)27(33(28)31-18)21-10-11-24(35-3)25(16-21)36-4;1-17-26(18-9-10-22(35-2)23(13-18)36-3)33-27(29-17)21(14-24(28)31-33)32-12-11-19(15-32)30-25(34)16-37-20-7-5-4-6-8-20;1-11-18(12-4-5-15(32-2)16(8-12)33-3)30-19(26-11)14(9-17(22)28-30)29-7-6-13(10-29)27-20(31)21(23,24)25/h5-11,14,16,22H,12-13,15,17H2,1-4H3,(H,30,34);4-10,13-14,19H,11-12,15-16H2,1-3H3,(H,30,34);4-5,8-9,13H,6-7,10H2,1-3H3,(H,27,31)/t22-;19-;13-/m111/s1.

What are the key properties of N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenylacetamide?

N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenylacetamide has a molecular weight of 1491.47 g/mol, XLogP of 11.75, 20 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 161165080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).