6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C80H88Cl4F2N20O12 — CID 158240427

IUPAC6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCC(F)(F)CO)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCC4(CO)CC4)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)N[C@@H]4CCOC4)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)N[C@H]4CCOC4)cnc23)cc1
InChIInChI=1S/C21H24ClN5O3.2C20H22ClN5O3.C19H20ClF2N5O3/c1-26(11-14-3-5-15(30-2)6-4-14)16-9-18(22)25-27-17(10-23-19(16)27)20(29)24-12-21(13-28)7-8-21;2*1-25(11-13-3-5-15(28-2)6-4-13)16-9-18(21)24-26-17(10-22-19(16)26)20(27)23-14-7-8-29-12-14;1-26(9-12-3-5-13(30-2)6-4-12)14-7-16(20)25-27-15(8-23-17(14)27)18(29)24-10-19(21,22)11-28/h3-6,9-10,28H,7-8,11-13H2,1-2H3,(H,24,29);2*3-6,9-10,14H,7-8,11-12H2,1-2H3,(H,23,27);3-8,28H,9-11H2,1-2H3,(H,24,29)/t;2*14-;/m.10./s1
InChIKeyGFLXZLKVDSFHTO-JZFVKLSFSA-N
MW1701.52 g/mol
LogP10.01
Rot. Bonds28

About 6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 158240427) has the molecular formula C80H88Cl4F2N20O12 and a molecular weight of 1701.52 g/mol. Its IUPAC name is 6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID158240427
Molecular FormulaC80H88Cl4F2N20O12
Molecular Weight1701.52 g/mol
Exact Mass1698.56
IUPAC Name6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCC(F)(F)CO)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCC4(CO)CC4)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)N[C@@H]4CCOC4)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)N[C@H]4CCOC4)cnc23)cc1
InChIInChI=1S/C21H24ClN5O3.2C20H22ClN5O3.C19H20ClF2N5O3/c1-26(11-14-3-5-15(30-2)6-4-14)16-9-18(22)25-27-17(10-23-19(16)27)20(29)24-12-21(13-28)7-8-21;2*1-25(11-13-3-5-15(28-2)6-4-13)16-9-18(21)24-26-17(10-22-19(16)26)20(27)23-14-7-8-29-12-14;1-26(9-12-3-5-13(30-2)6-4-12)14-7-16(20)25-27-15(8-23-17(14)27)18(29)24-10-19(21,22)11-28/h3-6,9-10,28H,7-8,11-13H2,1-2H3,(H,24,29);2*3-6,9-10,14H,7-8,11-12H2,1-2H3,(H,23,27);3-8,28H,9-11H2,1-2H3,(H,24,29)/t;2*14-;/m.10./s1
InChIKeyGFLXZLKVDSFHTO-JZFVKLSFSA-N
XLogP10.01
TPSA345.96 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001701.52
LogP ≤ 510.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide 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

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522317
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522358
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[(3S)-3-methylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522367
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[methyl(2-phenoxyethyl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522381
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(4-chlorophenoxy)ethyl-methylamino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522391
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[(3R)-3-methylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522570
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(4-hydroxyphenyl)ethyl-methylamino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522886
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(4-methylphenoxy)ethyl-prop-2-enylamino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522622
N-[1-[2-[4-[butyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522657
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522881
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(3-methylmorpholin-4-yl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522368
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[1-(4-methylphenoxy)pent-4-en-2-ylamino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522620

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 158240427) is 6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide is COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCC(F)(F)CO)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCC4(CO)CC4)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)N[C@@H]4CCOC4)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)N[C@H]4CCOC4)cnc23)cc1.
What is the InChIKey of 6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is GFLXZLKVDSFHTO-JZFVKLSFSA-N. The full InChI is InChI=1S/C21H24ClN5O3.2C20H22ClN5O3.C19H20ClF2N5O3/c1-26(11-14-3-5-15(30-2)6-4-14)16-9-18(22)25-27-17(10-23-19(16)27)20(29)24-12-21(13-28)7-8-21;2*1-25(11-13-3-5-15(28-2)6-4-13)16-9-18(21)24-26-17(10-22-19(16)26)20(27)23-14-7-8-29-12-14;1-26(9-12-3-5-13(30-2)6-4-12)14-7-16(20)25-27-15(8-23-17(14)27)18(29)24-10-19(21,22)11-28/h3-6,9-10,28H,7-8,11-13H2,1-2H3,(H,24,29);2*3-6,9-10,14H,7-8,11-12H2,1-2H3,(H,23,27);3-8,28H,9-11H2,1-2H3,(H,24,29)/t;2*14-;/m.10./s1.
What are the key properties of 6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 1701.52 g/mol, XLogP of 10.01, 28 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 158240427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).