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

C79H88F3N15O11 — CID 158129028

IUPAC(2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)C(F)(F)F)C4)cc(C)nn23)cc1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)COc5ccccc5)C4)cc(C)nn23)cc1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)[C@@H](OC)c5ccccc5)C4)cc(C)nn23)cc1OC
InChIInChI=1S/C29H33N5O4.C28H31N5O4.C22H24F3N5O3/c1-18-15-23(33-14-13-22(17-33)31-29(35)27(38-5)20-9-7-6-8-10-20)28-30-19(2)26(34(28)32-18)21-11-12-24(36-3)25(16-21)37-4;1-18-14-23(32-13-12-21(16-32)30-26(34)17-37-22-8-6-5-7-9-22)28-29-19(2)27(33(28)31-18)20-10-11-24(35-3)25(15-20)36-4;1-12-9-16(29-8-7-15(11-29)27-21(31)22(23,24)25)20-26-13(2)19(30(20)28-12)14-5-6-17(32-3)18(10-14)33-4/h6-12,15-16,22,27H,13-14,17H2,1-5H3,(H,31,35);5-11,14-15,21H,12-13,16-17H2,1-4H3,(H,30,34);5-6,9-10,15H,7-8,11H2,1-4H3,(H,27,31)/t22-,27+;21-;15-/m111/s1
InChIKeyFSNQKBOYZYZJQF-ZAIODDEFSA-N
MW1480.66 g/mol
LogP11.20
Rot. Bonds21

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

(2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 158129028) has the molecular formula C79H88F3N15O11 and a molecular weight of 1480.66 g/mol. Its IUPAC name is (2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound Name(2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
PubChem CID158129028
Molecular FormulaC79H88F3N15O11
Molecular Weight1480.66 g/mol
Exact Mass1479.67
IUPAC Name(2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)C(F)(F)F)C4)cc(C)nn23)cc1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)COc5ccccc5)C4)cc(C)nn23)cc1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)[C@@H](OC)c5ccccc5)C4)cc(C)nn23)cc1OC
InChIInChI=1S/C29H33N5O4.C28H31N5O4.C22H24F3N5O3/c1-18-15-23(33-14-13-22(17-33)31-29(35)27(38-5)20-9-7-6-8-10-20)28-30-19(2)26(34(28)32-18)21-11-12-24(36-3)25(16-21)37-4;1-18-14-23(32-13-12-21(16-32)30-26(34)17-37-22-8-6-5-7-9-22)28-29-19(2)27(33(28)31-18)20-10-11-24(35-3)25(15-20)36-4;1-12-9-16(29-8-7-15(11-29)27-21(31)22(23,24)25)20-26-13(2)19(30(20)28-12)14-5-6-17(32-3)18(10-14)33-4/h6-12,15-16,22,27H,13-14,17H2,1-5H3,(H,31,35);5-11,14-15,21H,12-13,16-17H2,1-4H3,(H,30,34);5-6,9-10,15H,7-8,11H2,1-4H3,(H,27,31)/t22-,27+;21-;15-/m111/s1
InChIKeyFSNQKBOYZYZJQF-ZAIODDEFSA-N
XLogP11.20
TPSA261.43 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001480.66
LogP ≤ 511.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze (2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide
CID 135217174
N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethyl-imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2-difluoro-2-phenyl-acetamide
CID 135217201
N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide
CID 135217271
N-[1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2-difluoro-2-phenylacetamide
CID 135217275
2-[[6-[3-[4-(1,1-Difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;1-[(3,4-dimethoxyphenyl)methyl]-4-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrrolo[2,3-b]pyridine;7-[(3,4-dimethoxyphenyl)methyl]-4-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine;methyl 2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetate
CID 157507223
(4R)-4-[(1R)-1-[6-(3,4-dimethoxyphenyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[[6-(3,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 157615700
N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2-difluoro-2-phenylacetamide;(2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide;phenyl N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]carbamate
CID 158206494
N-(2-aminoethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;N-piperidin-4-yl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158838612
N-(2-aminoethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;N-piperidin-4-yl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 159279284
N-phenyl-2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]propanamide;2-[3-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]acetamide;N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 159291730
N-(2-amino-2-methylpropyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;1-[4-[[5-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone;N-(1-methylpiperidin-4-yl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[5-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 159597957
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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of (2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide (CID 158129028) is (2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for (2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for (2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide is COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)C(F)(F)F)C4)cc(C)nn23)cc1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)COc5ccccc5)C4)cc(C)nn23)cc1OC.COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NC(=O)[C@@H](OC)c5ccccc5)C4)cc(C)nn23)cc1OC.
What is the InChIKey of (2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is FSNQKBOYZYZJQF-ZAIODDEFSA-N. The full InChI is InChI=1S/C29H33N5O4.C28H31N5O4.C22H24F3N5O3/c1-18-15-23(33-14-13-22(17-33)31-29(35)27(38-5)20-9-7-6-8-10-20)28-30-19(2)26(34(28)32-18)21-11-12-24(36-3)25(16-21)37-4;1-18-14-23(32-13-12-21(16-32)30-26(34)17-37-22-8-6-5-7-9-22)28-29-19(2)27(33(28)31-18)20-10-11-24(35-3)25(15-20)36-4;1-12-9-16(29-8-7-15(11-29)27-21(31)22(23,24)25)20-26-13(2)19(30(20)28-12)14-5-6-17(32-3)18(10-14)33-4/h6-12,15-16,22,27H,13-14,17H2,1-5H3,(H,31,35);5-11,14-15,21H,12-13,16-17H2,1-4H3,(H,30,34);5-6,9-10,15H,7-8,11H2,1-4H3,(H,27,31)/t22-,27+;21-;15-/m111/s1.
What are the key properties of (2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
(2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 1480.66 g/mol, XLogP of 11.20, 21 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-methoxy-2-phenylacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2-phenoxyacetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 158129028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).