8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one

C94H81Cl2FN24O4 — CID 157224548

IUPAC8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one
SMILESC[C@H](Nc1ccnc2ccnn12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1cccc(F)c1.C[C@H](Nc1ccnc2ccnn12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1C1CC1.C[C@H](Nc1ccnn2ccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnn2ccnc12)c1cc2cccc(Cl)c2c(=O)n1C1CC1
InChIInChI=1S/C27H22FN7O.C24H23N7O.C23H18ClN5O.C20H18ClN5O/c1-17(32-25-9-11-29-24-10-12-30-35(24)25)23-13-18-5-3-8-22(19-15-31-33(2)16-19)26(18)27(36)34(23)21-7-4-6-20(28)14-21;1-15(28-22-8-10-25-21-9-11-26-31(21)22)20-12-16-4-3-5-19(17-13-27-29(2)14-17)23(16)24(32)30(20)18-6-7-18;1-15(27-19-10-11-26-28-13-12-25-22(19)28)20-14-16-6-5-9-18(24)21(16)23(30)29(20)17-7-3-2-4-8-17;1-12(24-16-7-8-23-25-10-9-22-19(16)25)17-11-13-3-2-4-15(21)18(13)20(27)26(17)14-5-6-14/h3-17,32H,1-2H3;3-5,8-15,18,28H,6-7H2,1-2H3;2-15,27H,1H3;2-4,7-12,14,24H,5-6H2,1H3/t17-;2*15-;12-/m0000/s1
InChIKeyATJUDJZPYVEAQR-IPTCXDEYSA-N
MW1700.75 g/mol
LogP17.76
Rot. Bonds18

About 8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one

8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one (PubChem CID 157224548) has the molecular formula C94H81Cl2FN24O4 and a molecular weight of 1700.75 g/mol. Its IUPAC name is 8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one.

Molecular Properties

Compound Name8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one
PubChem CID157224548
Molecular FormulaC94H81Cl2FN24O4
Molecular Weight1700.75 g/mol
Exact Mass1698.62
IUPAC Name8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one
SMILESC[C@H](Nc1ccnc2ccnn12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1cccc(F)c1.C[C@H](Nc1ccnc2ccnn12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1C1CC1.C[C@H](Nc1ccnn2ccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnn2ccnc12)c1cc2cccc(Cl)c2c(=O)n1C1CC1
InChIInChI=1S/C27H22FN7O.C24H23N7O.C23H18ClN5O.C20H18ClN5O/c1-17(32-25-9-11-29-24-10-12-30-35(24)25)23-13-18-5-3-8-22(19-15-31-33(2)16-19)26(18)27(36)34(23)21-7-4-6-20(28)14-21;1-15(28-22-8-10-25-21-9-11-26-31(21)22)20-12-16-4-3-5-19(17-13-27-29(2)14-17)23(16)24(32)30(20)18-6-7-18;1-15(27-19-10-11-26-28-13-12-25-22(19)28)20-14-16-6-5-9-18(24)21(16)23(30)29(20)17-7-3-2-4-8-17;1-12(24-16-7-8-23-25-10-9-22-19(16)25)17-11-13-3-2-4-15(21)18(13)20(27)26(17)14-5-6-14/h3-17,32H,1-2H3;3-5,8-15,18,28H,6-7H2,1-2H3;2-15,27H,1H3;2-4,7-12,14,24H,5-6H2,1H3/t17-;2*15-;12-/m0000/s1
InChIKeyATJUDJZPYVEAQR-IPTCXDEYSA-N
XLogP17.76
TPSA292.52 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001700.75
LogP ≤ 517.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one with MolForge

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Related Compounds

3-[(1S)-1-[(6-chloroimidazo[1,2-b]pyridazin-8-yl)amino]ethyl]-2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)isoquinolin-1-one
CID 89393743
(4-chloro-2-fluorophenyl)-[1-(5-fluoropyrimidin-2-yl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[(4S)-1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;[6-methyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone
CID 90409431
3-[1-[(6-Chloroimidazo[1,2-b]pyridazin-8-yl)amino]ethyl]-2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)isoquinolin-1-one
CID 123249403
N-[4-chloro-3-[1-[[5-cyano-1-[3-[[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoyl]amino]propyl]pyrrole-2-carbonyl]amino]ethyl]-2-fluorophenyl]-5-[1-(2-chloro-6-fluorophenyl)ethylcarbamoyl]-1-[[1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoyl]piperidin-4-yl]methyl]pyrrole-2-carbonitrilium
CID 123894430
N,N-dimethyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[(1-methylpiperidin-4-yl)methyl]-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157192480
4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[2-(dimethylamino)ethyl]-4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylbenzamide;4-[[5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;N-[(1-methylpiperidin-4-yl)methyl]-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157308752
4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;N,N-dimethyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157390910
3-[(1S)-1-[[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[(2-chloro-7H-purin-6-yl)amino]ethyl]-2-cyclopropylisoquinolin-1-one;8-chloro-2-cyclopropyl-3-[(1S)-1-[(2-fluoro-7H-purin-6-yl)amino]ethyl]isoquinolin-1-one;8-chloro-2-cyclopropyl-3-[(1S)-1-[(8-fluoro-7H-purin-6-yl)amino]ethyl]isoquinolin-1-one
CID 157460478
3-[(2R)-1-(6-chloro-3-iodo-2-pyridinyl)propan-2-yl]-2-cyclopropyl-8-(1-methylpyrazol-4-yl)isoquinolin-1-one;3-[(1S)-1-[(5-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-8-(1-methylpyrazol-4-yl)-2-phenylisoquinolin-1-one;4-[(2R)-2-[2-cyclopropyl-8-(1-methylpyrazol-4-yl)-1-oxoisoquinolin-3-yl]propyl]-2-methylpyrimidine-5-carbonitrile;2-methyl-4-[(2R)-2-[8-(1-methylpyrazol-4-yl)-1-oxo-2-phenylisoquinolin-3-yl]propyl]pyrimidine-5-carboxamide;8-(1-methylpyrazol-4-yl)-3-[(2R)-1-[6-methyl-5-(trifluoromethyl)pyrimidin-4-yl]propan-2-yl]-2-phenylisoquinolin-1-one
CID 157497577
3-[(1S)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-8-chloro-2-cyclopropylisoquinolin-1-one;3-[(1S)-1-[[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[(2-chloro-7H-purin-6-yl)amino]ethyl]-2-cyclopropylisoquinolin-1-one;8-chloro-2-cyclopropyl-3-[(1S)-1-[(2-fluoro-7H-purin-6-yl)amino]ethyl]isoquinolin-1-one;8-chloro-2-cyclopropyl-3-[(1S)-1-[(8-fluoro-7H-purin-6-yl)amino]ethyl]isoquinolin-1-one
CID 157505802
8-chloro-2-cyclopropyl-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-methylphenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]-8-[6-(trifluoromethyl)-3-pyridinyl]isoquinolin-1-one
CID 157557166
4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N-cyclohexyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157644056

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one?
The IUPAC name of 8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one (CID 157224548) is 8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one.
What is the SMILES notation for 8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one?
The canonical SMILES for 8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one is C[C@H](Nc1ccnc2ccnn12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1cccc(F)c1.C[C@H](Nc1ccnc2ccnn12)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1C1CC1.C[C@H](Nc1ccnn2ccnc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ccnn2ccnc12)c1cc2cccc(Cl)c2c(=O)n1C1CC1.
What is the InChIKey of 8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one?
The InChIKey is ATJUDJZPYVEAQR-IPTCXDEYSA-N. The full InChI is InChI=1S/C27H22FN7O.C24H23N7O.C23H18ClN5O.C20H18ClN5O/c1-17(32-25-9-11-29-24-10-12-30-35(24)25)23-13-18-5-3-8-22(19-15-31-33(2)16-19)26(18)27(36)34(23)21-7-4-6-20(28)14-21;1-15(28-22-8-10-25-21-9-11-26-31(21)22)20-12-16-4-3-5-19(17-13-27-29(2)14-17)23(16)24(32)30(20)18-6-7-18;1-15(27-19-10-11-26-28-13-12-25-22(19)28)20-14-16-6-5-9-18(24)21(16)23(30)29(20)17-7-3-2-4-8-17;1-12(24-16-7-8-23-25-10-9-22-19(16)25)17-11-13-3-2-4-15(21)18(13)20(27)26(17)14-5-6-14/h3-17,32H,1-2H3;3-5,8-15,18,28H,6-7H2,1-2H3;2-15,27H,1H3;2-4,7-12,14,24H,5-6H2,1H3/t17-;2*15-;12-/m0000/s1.
What are the key properties of 8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one?
8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one has a molecular weight of 1700.75 g/mol, XLogP of 17.76, 18 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-cyclopropyl-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]isoquinolin-1-one;8-chloro-3-[(1S)-1-(imidazo[1,2-b]pyridazin-8-ylamino)ethyl]-2-phenylisoquinolin-1-one;2-cyclopropyl-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(1-methylpyrazol-4-yl)-3-[(1S)-1-(pyrazolo[1,5-a]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one is sourced from PubChem (CID 157224548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).