6-chloro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-(1-methylpiperidin-4-yl)ethanamine

C44H53ClF6N10O4 — CID 159080551

IUPAC6-chloro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-(1-methylpiperidin-4-yl)ethanamine
SMILESCN1CCC(CCN)CC1.COc1ccc(OC(F)(F)F)cc1-c1cnc2ccc(Cl)nn12.COc1ccc(OC(F)(F)F)cc1-c1cnc2ccc(NCCC3CCN(C)CC3)nn12
InChIInChI=1S/C22H26F3N5O2.C14H9ClF3N3O2.C8H18N2/c1-29-11-8-15(9-12-29)7-10-26-20-5-6-21-27-14-18(30(21)28-20)17-13-16(32-22(23,24)25)3-4-19(17)31-2;1-22-11-3-2-8(23-14(16,17)18)6-9(11)10-7-19-13-5-4-12(15)20-21(10)13;1-10-6-3-8(2-5-9)4-7-10/h3-6,13-15H,7-12H2,1-2H3,(H,26,28);2-7H,1H3;8H,2-7,9H2,1H3
InChIKeyKAUKTNNUFPUZGM-UHFFFAOYSA-N
MW935.41 g/mol
LogP9.08
Rot. Bonds12

About 6-chloro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-(1-methylpiperidin-4-yl)ethanamine

6-chloro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 159080551) has the molecular formula C44H53ClF6N10O4 and a molecular weight of 935.41 g/mol. Its IUPAC name is 6-chloro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name6-chloro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-(1-methylpiperidin-4-yl)ethanamine
PubChem CID159080551
Molecular FormulaC44H53ClF6N10O4
Molecular Weight935.41 g/mol
Exact Mass934.38
IUPAC Name6-chloro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-(1-methylpiperidin-4-yl)ethanamine
SMILESCN1CCC(CCN)CC1.COc1ccc(OC(F)(F)F)cc1-c1cnc2ccc(Cl)nn12.COc1ccc(OC(F)(F)F)cc1-c1cnc2ccc(NCCC3CCN(C)CC3)nn12
InChIInChI=1S/C22H26F3N5O2.C14H9ClF3N3O2.C8H18N2/c1-29-11-8-15(9-12-29)7-10-26-20-5-6-21-27-14-18(30(21)28-20)17-13-16(32-22(23,24)25)3-4-19(17)31-2;1-22-11-3-2-8(23-14(16,17)18)6-9(11)10-7-19-13-5-4-12(15)20-21(10)13;1-10-6-3-8(2-5-9)4-7-10/h3-6,13-15H,7-12H2,1-2H3,(H,26,28);2-7H,1H3;8H,2-7,9H2,1H3
InChIKeyKAUKTNNUFPUZGM-UHFFFAOYSA-N
XLogP9.08
TPSA141.83 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500935.41
LogP ≤ 59.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 6-chloro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-(1-methylpiperidin-4-yl)ethanamine with MolForge

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
N-((1-ethylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine
CID 25025645
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 44530413
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 57399976
N-[1-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522493
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522499
2-amino-N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[1-(4-phenylbutyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522558
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522798
N-[1-[1-[(1-acetylpiperidin-4-yl)methyl]piperidin-4-yl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]-2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118523164
N-(2-pyridin-3-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 57399974
Pyrido[4',3':4,5]imidazo[1,2-b]pyridazine, 9-[2-(difluoromethoxy)phenyl]-6,7,8,9-tetrahydro-2-(6-methoxy-3-pyridinyl)-
CID 122538422
US9815842, Example 53
CID 118540288

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of 6-chloro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-(1-methylpiperidin-4-yl)ethanamine (CID 159080551) is 6-chloro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 6-chloro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for 6-chloro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-(1-methylpiperidin-4-yl)ethanamine is CN1CCC(CCN)CC1.COc1ccc(OC(F)(F)F)cc1-c1cnc2ccc(Cl)nn12.COc1ccc(OC(F)(F)F)cc1-c1cnc2ccc(NCCC3CCN(C)CC3)nn12.
What is the InChIKey of 6-chloro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is KAUKTNNUFPUZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O2.C14H9ClF3N3O2.C8H18N2/c1-29-11-8-15(9-12-29)7-10-26-20-5-6-21-27-14-18(30(21)28-20)17-13-16(32-22(23,24)25)3-4-19(17)31-2;1-22-11-3-2-8(23-14(16,17)18)6-9(11)10-7-19-13-5-4-12(15)20-21(10)13;1-10-6-3-8(2-5-9)4-7-10/h3-6,13-15H,7-12H2,1-2H3,(H,26,28);2-7H,1H3;8H,2-7,9H2,1H3.
What are the key properties of 6-chloro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-(1-methylpiperidin-4-yl)ethanamine?
6-chloro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 935.41 g/mol, XLogP of 9.08, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-methoxy-5-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;3-[2-methoxy-5-(trifluoromethoxy)phenyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]imidazo[1,2-b]pyridazin-6-amine;2-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 159080551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).