7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]cinnoline;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-3-ylcinnoline;2-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine

C65H65F3N18O — CID 157265056

IUPAC7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]cinnoline;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-3-ylcinnoline;2-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1cc2oc(-c3cc(F)c4cc(C5CCN(C)CC5)nnc4c3)nc2c(C)n1.Cc1cn2nc(-c3cc(F)c4cc(C5CCCNC5)nnc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4cc(N5CC6C[C@H]5CN6C)nnc4c3)cc(C)c2n1
InChIInChI=1S/C22H22FN7.C22H22FN5O.C21H21FN6/c1-12-4-19(27-30-9-13(2)24-22(12)30)14-5-18(23)17-8-21(26-25-20(17)6-14)29-11-15-7-16(29)10-28(15)3;1-12-8-20-21(13(2)24-12)25-22(29-20)15-9-17(23)16-11-18(26-27-19(16)10-15)14-4-6-28(3)7-5-14;1-12-6-19(27-28-11-13(2)24-21(12)28)15-7-17(22)16-9-18(25-26-20(16)8-15)14-4-3-5-23-10-14/h4-6,8-9,15-16H,7,10-11H2,1-3H3;8-11,14H,4-7H2,1-3H3;6-9,11,14,23H,3-5,10H2,1-2H3/t15?,16-;;/m0../s1
InChIKeyAXXATSOCVRWWJI-AWESVXIMSA-N
MW1171.35 g/mol
LogP10.95
Rot. Bonds6

About 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]cinnoline;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-3-ylcinnoline;2-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine

7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]cinnoline;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-3-ylcinnoline;2-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 157265056) has the molecular formula C65H65F3N18O and a molecular weight of 1171.35 g/mol. Its IUPAC name is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]cinnoline;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-3-ylcinnoline;2-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]cinnoline;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-3-ylcinnoline;2-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine
PubChem CID157265056
Molecular FormulaC65H65F3N18O
Molecular Weight1171.35 g/mol
Exact Mass1170.55
IUPAC Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]cinnoline;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-3-ylcinnoline;2-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine
SMILESCc1cc2oc(-c3cc(F)c4cc(C5CCN(C)CC5)nnc4c3)nc2c(C)n1.Cc1cn2nc(-c3cc(F)c4cc(C5CCCNC5)nnc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4cc(N5CC6C[C@H]5CN6C)nnc4c3)cc(C)c2n1
InChIInChI=1S/C22H22FN7.C22H22FN5O.C21H21FN6/c1-12-4-19(27-30-9-13(2)24-22(12)30)14-5-18(23)17-8-21(26-25-20(17)6-14)29-11-15-7-16(29)10-28(15)3;1-12-8-20-21(13(2)24-12)25-22(29-20)15-9-17(23)16-11-18(26-27-19(16)10-15)14-4-6-28(3)7-5-14;1-12-6-19(27-28-11-13(2)24-21(12)28)15-7-17(22)16-9-18(25-26-20(16)8-15)14-4-3-5-23-10-14/h4-6,8-9,15-16H,7,10-11H2,1-3H3;8-11,14H,4-7H2,1-3H3;6-9,11,14,23H,3-5,10H2,1-2H3/t15?,16-;;/m0../s1
InChIKeyAXXATSOCVRWWJI-AWESVXIMSA-N
XLogP10.95
TPSA198.39 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds6
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001171.35
LogP ≤ 510.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]cinnoline;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-3-ylcinnoline;2-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine 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

[2-[(1,3-Benzoxazol-2-ylamino)methyl]-3-[[2-[6-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]-3-pyridinyl]-4-pyridinyl]methyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123470594
6-[7-(difluoromethyl)-1-[6-(methylcarbamoylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]-2-[6-[8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-2-(methylcarbamoyl)quinolin-5-yl]-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1,3-benzoxazole-4-carboxamide
CID 132181505
[(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;ethane;(6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 144902874
[(2S,3R)-3-(1,3-benzoxazol-2-ylamino)-2-methylpiperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
CID 157063478
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone;(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157093503
2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1-benzylpyrazol-4-yl)-6-fluoroquinoline-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(4-methylphenyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(5-methyl-2-pyridinyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)-2-propoxypyridine-3-carboxamide;2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 157608478
2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 157812885
4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 157815435
12-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-[(4-fluoropiperidin-1-yl)methyl]-4-(1H-indol-4-yl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-6,12-dimorpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-(1H-indol-4-yl)-11-methyl-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158180516
4-tert-butyl-2H-benzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-4-fluoro-2H-indazole;3-tert-butyl-5-fluoro-2H-indazole;3-tert-butyl-6-fluoro-2H-indazole;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-3-fluoro-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-2H-indazole;4-tert-butyl-1-methylbenzimidazole;3-tert-butyl-2-methylindazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;2-methyl-6-propan-2-yl-1,3-benzoxazole
CID 158251202
1-[8-[[(8S)-8-ethyl-6-[2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]acetyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]oxy]imidazo[1,2-b]pyridazin-2-yl]propan-1-one
CID 158438652
2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 158469132

Frequently Asked Questions

What is the IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]cinnoline;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-3-ylcinnoline;2-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]cinnoline;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-3-ylcinnoline;2-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine (CID 157265056) is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]cinnoline;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-3-ylcinnoline;2-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]cinnoline;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-3-ylcinnoline;2-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]cinnoline;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-3-ylcinnoline;2-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine is Cc1cc2oc(-c3cc(F)c4cc(C5CCN(C)CC5)nnc4c3)nc2c(C)n1.Cc1cn2nc(-c3cc(F)c4cc(C5CCCNC5)nnc4c3)cc(C)c2n1.Cc1cn2nc(-c3cc(F)c4cc(N5CC6C[C@H]5CN6C)nnc4c3)cc(C)c2n1.
What is the InChIKey of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]cinnoline;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-3-ylcinnoline;2-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is AXXATSOCVRWWJI-AWESVXIMSA-N. The full InChI is InChI=1S/C22H22FN7.C22H22FN5O.C21H21FN6/c1-12-4-19(27-30-9-13(2)24-22(12)30)14-5-18(23)17-8-21(26-25-20(17)6-14)29-11-15-7-16(29)10-28(15)3;1-12-8-20-21(13(2)24-12)25-22(29-20)15-9-17(23)16-11-18(26-27-19(16)10-15)14-4-6-28(3)7-5-14;1-12-6-19(27-28-11-13(2)24-21(12)28)15-7-17(22)16-9-18(25-26-20(16)8-15)14-4-3-5-23-10-14/h4-6,8-9,15-16H,7,10-11H2,1-3H3;8-11,14H,4-7H2,1-3H3;6-9,11,14,23H,3-5,10H2,1-2H3/t15?,16-;;/m0../s1.
What are the key properties of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]cinnoline;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-3-ylcinnoline;2-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine?
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]cinnoline;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-3-ylcinnoline;2-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 1171.35 g/mol, XLogP of 10.95, 6 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[(1S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]cinnoline;7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-piperidin-3-ylcinnoline;2-[5-fluoro-3-(1-methylpiperidin-4-yl)cinnolin-7-yl]-4,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 157265056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).