(3S)-4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine;(1R,4R)-5-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane

C59H62N18O3 — CID 176959644

IUPAC(3S)-4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine;(1R,4R)-5-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCCc1[nH]nc2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc12.CCc1[nH]nc2ccc(-c3cnc4ccc(N5CCOC[C@@H]5C)nn34)cc12.CCc1[nH]nc2ccc(-c3cnc4ccc(N5C[C@H]6C[C@@H]5CO6)nn34)cc12
InChIInChI=1S/C20H20N6O.C20H22N6O.C19H20N6O/c1-2-16-15-7-12(3-4-17(15)23-22-16)18-9-21-19-5-6-20(24-26(18)19)25-10-14-8-13(25)11-27-14;1-3-16-15-10-14(4-5-17(15)23-22-16)18-11-21-19-6-7-20(24-26(18)19)25-8-9-27-12-13(25)2;1-2-15-14-11-13(3-4-16(14)22-21-15)17-12-20-18-5-6-19(23-25(17)18)24-7-9-26-10-8-24/h3-7,9,13-14H,2,8,10-11H2,1H3,(H,22,23);4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,22,23);3-6,11-12H,2,7-10H2,1H3,(H,21,22)/t13-,14-;13-;/m10./s1
InChIKeyZMENEOLDYGKDMG-KJIAEFIWSA-N
MW1071.27 g/mol
LogP8.54
Rot. Bonds9

About (3S)-4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine;(1R,4R)-5-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane

(3S)-4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine;(1R,4R)-5-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 176959644) has the molecular formula C59H62N18O3 and a molecular weight of 1071.27 g/mol. Its IUPAC name is (3S)-4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine;(1R,4R)-5-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3S)-4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine;(1R,4R)-5-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID176959644
Molecular FormulaC59H62N18O3
Molecular Weight1071.27 g/mol
Exact Mass1070.53
IUPAC Name(3S)-4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine;(1R,4R)-5-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCCc1[nH]nc2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc12.CCc1[nH]nc2ccc(-c3cnc4ccc(N5CCOC[C@@H]5C)nn34)cc12.CCc1[nH]nc2ccc(-c3cnc4ccc(N5C[C@H]6C[C@@H]5CO6)nn34)cc12
InChIInChI=1S/C20H20N6O.C20H22N6O.C19H20N6O/c1-2-16-15-7-12(3-4-17(15)23-22-16)18-9-21-19-5-6-20(24-26(18)19)25-10-14-8-13(25)11-27-14;1-3-16-15-10-14(4-5-17(15)23-22-16)18-11-21-19-6-7-20(24-26(18)19)25-8-9-27-12-13(25)2;1-2-15-14-11-13(3-4-16(14)22-21-15)17-12-20-18-5-6-19(23-25(17)18)24-7-9-26-10-8-24/h3-7,9,13-14H,2,8,10-11H2,1H3,(H,22,23);4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,22,23);3-6,11-12H,2,7-10H2,1H3,(H,21,22)/t13-,14-;13-;/m10./s1
InChIKeyZMENEOLDYGKDMG-KJIAEFIWSA-N
XLogP8.54
TPSA214.02 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001071.27
LogP ≤ 58.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze (3S)-4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine;(1R,4R)-5-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane with MolForge

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Related Compounds

ethane;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine
CID 176959586
4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-methylmorpholine
CID 133489518
4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-morpholin-4-ylbenzonitrile
CID 58335688
(2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine
CID 169237077
4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine
CID 90670266
3-(3-fluorophenyl)-4-[3-(6-piperidin-1-yl-2-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]morpholine
CID 67029481
5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 126853540
4-[8-cyclohexyl-3-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine
CID 155454521
3-(1,3-dimethylindazol-5-yl)-6-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-b]pyridazine
CID 59519539
2-(6-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-[(3R)-3-methylmorpholin-4-yl]furo[3,2-c]pyridine
CID 90358369
4-[4-[4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-6-(4-ethylphenyl)pyrimidin-2-yl]morpholine
CID 90999058
5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 163235773

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine;(1R,4R)-5-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (3S)-4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine;(1R,4R)-5-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane (CID 176959644) is (3S)-4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine;(1R,4R)-5-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (3S)-4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine;(1R,4R)-5-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (3S)-4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine;(1R,4R)-5-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane is CCc1[nH]nc2ccc(-c3cnc4ccc(N5CCOCC5)nn34)cc12.CCc1[nH]nc2ccc(-c3cnc4ccc(N5CCOC[C@@H]5C)nn34)cc12.CCc1[nH]nc2ccc(-c3cnc4ccc(N5C[C@H]6C[C@@H]5CO6)nn34)cc12.
What is the InChIKey of (3S)-4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine;(1R,4R)-5-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is ZMENEOLDYGKDMG-KJIAEFIWSA-N. The full InChI is InChI=1S/C20H20N6O.C20H22N6O.C19H20N6O/c1-2-16-15-7-12(3-4-17(15)23-22-16)18-9-21-19-5-6-20(24-26(18)19)25-10-14-8-13(25)11-27-14;1-3-16-15-10-14(4-5-17(15)23-22-16)18-11-21-19-6-7-20(24-26(18)19)25-8-9-27-12-13(25)2;1-2-15-14-11-13(3-4-16(14)22-21-15)17-12-20-18-5-6-19(23-25(17)18)24-7-9-26-10-8-24/h3-7,9,13-14H,2,8,10-11H2,1H3,(H,22,23);4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,22,23);3-6,11-12H,2,7-10H2,1H3,(H,21,22)/t13-,14-;13-;/m10./s1.
What are the key properties of (3S)-4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine;(1R,4R)-5-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane?
(3S)-4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine;(1R,4R)-5-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 1071.27 g/mol, XLogP of 8.54, 9 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-3-methylmorpholine;4-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]morpholine;(1R,4R)-5-[3-(3-ethyl-2H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 176959644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).