2-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylcyclopentan-1-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one

C55H63ClF9N13O5 — CID 159099721

IUPAC2-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylcyclopentan-1-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)C(Cc2c(C(F)(F)F)nc3ccc(N)nn23)C1.CCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(Cl)nn23)C1.CCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(NCc4ccc(OC)cc4OC)nn23)C1
InChIInChI=1S/C24H28F3N5O3.C16H19F3N4O.C15H16ClF3N4O/c1-4-5-15-10-22(33)31(13-15)14-18-23(24(25,26)27)29-21-9-8-20(30-32(18)21)28-12-16-6-7-17(34-2)11-19(16)35-3;1-2-3-9-6-10(12(24)7-9)8-11-15(16(17,18)19)21-14-5-4-13(20)22-23(11)14;1-2-3-9-6-13(24)22(7-9)8-10-14(15(17,18)19)20-12-5-4-11(16)21-23(10)12/h6-9,11,15H,4-5,10,12-14H2,1-3H3,(H,28,30);4-5,9-10H,2-3,6-8H2,1H3,(H2,20,22);4-5,9H,2-3,6-8H2,1H3
InChIKeyKDCXQJMWVUKWLZ-UHFFFAOYSA-N
MW1192.63 g/mol
LogP11.34
Rot. Bonds17

About 2-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylcyclopentan-1-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one

2-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylcyclopentan-1-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one (PubChem CID 159099721) has the molecular formula C55H63ClF9N13O5 and a molecular weight of 1192.63 g/mol. Its IUPAC name is 2-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylcyclopentan-1-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name2-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylcyclopentan-1-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
PubChem CID159099721
Molecular FormulaC55H63ClF9N13O5
Molecular Weight1192.63 g/mol
Exact Mass1191.46
IUPAC Name2-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylcyclopentan-1-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)C(Cc2c(C(F)(F)F)nc3ccc(N)nn23)C1.CCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(Cl)nn23)C1.CCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(NCc4ccc(OC)cc4OC)nn23)C1
InChIInChI=1S/C24H28F3N5O3.C16H19F3N4O.C15H16ClF3N4O/c1-4-5-15-10-22(33)31(13-15)14-18-23(24(25,26)27)29-21-9-8-20(30-32(18)21)28-12-16-6-7-17(34-2)11-19(16)35-3;1-2-3-9-6-10(12(24)7-9)8-11-15(16(17,18)19)21-14-5-4-13(20)22-23(11)14;1-2-3-9-6-13(24)22(7-9)8-10-14(15(17,18)19)20-12-5-4-11(16)21-23(10)12/h6-9,11,15H,4-5,10,12-14H2,1-3H3,(H,28,30);4-5,9-10H,2-3,6-8H2,1H3,(H2,20,22);4-5,9H,2-3,6-8H2,1H3
InChIKeyKDCXQJMWVUKWLZ-UHFFFAOYSA-N
XLogP11.34
TPSA204.77 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001192.63
LogP ≤ 511.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 2-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylcyclopentan-1-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one with MolForge

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Related Compounds

1-[[6-Amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
CID 160005341
1-[[6-Amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[2-(2,4-dimethoxyphenyl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
CID 160425842
[(2S)-2-(5-amino-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-4,4-difluoropyrrolidin-1-yl]-cyclopropylmethanone;cyclopropanecarbonyl chloride;bis(cyclopropyl-[(2S)-2-[5-[(2,4-dimethoxyphenyl)methylamino]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-4,4-difluoropyrrolidin-1-yl]methanone);2-[(1S)-3,3-difluorocyclopentyl]-N-[(2,4-dimethoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;methane
CID 163686009
4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;2-(2,6-difluorophenyl)-4-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one;1-methylpyrazol-4-amine
CID 158253442
carbanide;4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxamide;N-[(2,4-dimethoxyphenyl)methyl]-4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;2-ethyl-4-methyl-1-(1-methylimidazol-4-yl)imidazole;4-[4-(2-ethyl-5-methylpyrazol-3-yl)-1-methylimidazol-2-yl]-1-methylpyrazolo[3,4-d]pyrimidine-6-carboxamide;methane
CID 167684619

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylcyclopentan-1-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 2-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylcyclopentan-1-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one (CID 159099721) is 2-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylcyclopentan-1-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 2-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylcyclopentan-1-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 2-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylcyclopentan-1-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)C(Cc2c(C(F)(F)F)nc3ccc(N)nn23)C1.CCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(Cl)nn23)C1.CCCC1CC(=O)N(Cc2c(C(F)(F)F)nc3ccc(NCc4ccc(OC)cc4OC)nn23)C1.
What is the InChIKey of 2-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylcyclopentan-1-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
The InChIKey is KDCXQJMWVUKWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O3.C16H19F3N4O.C15H16ClF3N4O/c1-4-5-15-10-22(33)31(13-15)14-18-23(24(25,26)27)29-21-9-8-20(30-32(18)21)28-12-16-6-7-17(34-2)11-19(16)35-3;1-2-3-9-6-10(12(24)7-9)8-11-15(16(17,18)19)21-14-5-4-13(20)22-23(11)14;1-2-3-9-6-13(24)22(7-9)8-10-14(15(17,18)19)20-12-5-4-11(16)21-23(10)12/h6-9,11,15H,4-5,10,12-14H2,1-3H3,(H,28,30);4-5,9-10H,2-3,6-8H2,1H3,(H2,20,22);4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 2-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylcyclopentan-1-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one?
2-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylcyclopentan-1-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one has a molecular weight of 1192.63 g/mol, XLogP of 11.34, 17 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylcyclopentan-1-one;1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one;1-[[6-[(2,4-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 159099721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).