4-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(6-cyclopropylpyridazin-3-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(5-cyclopropylpyrimidin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one

C131H131F2N35O7 — CID 159928222

IUPAC4-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(6-cyclopropylpyridazin-3-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(5-cyclopropylpyrimidin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one
SMILESCNc1ccc(-c2cnc(Nc3ccc(C4CC4)nn3)cc2C)c2c1C(=O)NC2.CNc1ccc(-c2cnc(Nc3ccc(N(C)C)nc3)cc2C)c2c1C(=O)NC2.CNc1ccc(-c2cnc(Nc3ccc(OC(F)F)nc3)cc2C)c2c1C(=O)NC2.CNc1ccc(-c2cnc(Nc3cnc(C4CC4)cn3)cc2C)c2c1C(=O)NC2.CNc1ccc(-c2cnc(Nc3cnc(C4CC4)nc3)cc2C)c2c1C(=O)NC2.CNc1ccc(-c2cnc(Nc3ncc(C4CC4)cn3)cc2C)c2c1C(=O)NC2
InChIInChI=1S/4C22H22N6O.C22H24N6O.C21H19F2N5O2/c1-12-7-19(28-14-8-25-21(26-9-14)13-3-4-13)24-10-16(12)15-5-6-18(23-2)20-17(15)11-27-22(20)29;1-12-7-19(28-22-26-8-14(9-27-22)13-3-4-13)24-10-16(12)15-5-6-18(23-2)20-17(15)11-25-21(20)29;1-12-7-19(28-20-11-24-18(10-26-20)13-3-4-13)25-8-15(12)14-5-6-17(23-2)21-16(14)9-27-22(21)29;1-12-9-20(26-19-8-7-17(27-28-19)13-3-4-13)24-10-15(12)14-5-6-18(23-2)21-16(14)11-25-22(21)29;1-13-9-19(27-14-5-8-20(25-10-14)28(3)4)24-11-16(13)15-6-7-18(23-2)21-17(15)12-26-22(21)29;1-11-7-17(28-12-3-6-18(26-8-12)30-21(22)23)25-9-14(11)13-4-5-16(24-2)19-15(13)10-27-20(19)29/h5-10,13,23H,3-4,11H2,1-2H3,(H,24,28)(H,27,29);5-10,13,23H,3-4,11H2,1-2H3,(H,25,29)(H,24,26,27,28);5-8,10-11,13,23H,3-4,9H2,1-2H3,(H,27,29)(H,25,26,28);5-10,13,23H,3-4,11H2,1-2H3,(H,25,29)(H,24,26,28);5-11,23H,12H2,1-4H3,(H,24,27)(H,26,29);3-9,21,24H,10H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyNZHJBBOSMLFNGK-UHFFFAOYSA-N
MW2345.72 g/mol
LogP22.64
Rot. Bonds31

About 4-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(6-cyclopropylpyridazin-3-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(5-cyclopropylpyrimidin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one

4-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(6-cyclopropylpyridazin-3-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(5-cyclopropylpyrimidin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one (PubChem CID 159928222) has the molecular formula C131H131F2N35O7 and a molecular weight of 2345.72 g/mol. Its IUPAC name is 4-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(6-cyclopropylpyridazin-3-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(5-cyclopropylpyrimidin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(6-cyclopropylpyridazin-3-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(5-cyclopropylpyrimidin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one
PubChem CID159928222
Molecular FormulaC131H131F2N35O7
Molecular Weight2345.72 g/mol
Exact Mass2344.09
IUPAC Name4-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(6-cyclopropylpyridazin-3-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(5-cyclopropylpyrimidin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one
SMILESCNc1ccc(-c2cnc(Nc3ccc(C4CC4)nn3)cc2C)c2c1C(=O)NC2.CNc1ccc(-c2cnc(Nc3ccc(N(C)C)nc3)cc2C)c2c1C(=O)NC2.CNc1ccc(-c2cnc(Nc3ccc(OC(F)F)nc3)cc2C)c2c1C(=O)NC2.CNc1ccc(-c2cnc(Nc3cnc(C4CC4)cn3)cc2C)c2c1C(=O)NC2.CNc1ccc(-c2cnc(Nc3cnc(C4CC4)nc3)cc2C)c2c1C(=O)NC2.CNc1ccc(-c2cnc(Nc3ncc(C4CC4)cn3)cc2C)c2c1C(=O)NC2
InChIInChI=1S/4C22H22N6O.C22H24N6O.C21H19F2N5O2/c1-12-7-19(28-14-8-25-21(26-9-14)13-3-4-13)24-10-16(12)15-5-6-18(23-2)20-17(15)11-27-22(20)29;1-12-7-19(28-22-26-8-14(9-27-22)13-3-4-13)24-10-16(12)15-5-6-18(23-2)20-17(15)11-25-21(20)29;1-12-7-19(28-20-11-24-18(10-26-20)13-3-4-13)25-8-15(12)14-5-6-17(23-2)21-16(14)9-27-22(21)29;1-12-9-20(26-19-8-7-17(27-28-19)13-3-4-13)24-10-15(12)14-5-6-18(23-2)21-16(14)11-25-22(21)29;1-13-9-19(27-14-5-8-20(25-10-14)28(3)4)24-11-16(13)15-6-7-18(23-2)21-17(15)12-26-22(21)29;1-11-7-17(28-12-3-6-18(26-8-12)30-21(22)23)25-9-14(11)13-4-5-16(24-2)19-15(13)10-27-20(19)29/h5-10,13,23H,3-4,11H2,1-2H3,(H,24,28)(H,27,29);5-10,13,23H,3-4,11H2,1-2H3,(H,25,29)(H,24,26,27,28);5-8,10-11,13,23H,3-4,9H2,1-2H3,(H,27,29)(H,25,26,28);5-10,13,23H,3-4,11H2,1-2H3,(H,25,29)(H,24,26,28);5-11,23H,12H2,1-4H3,(H,24,27)(H,26,29);3-9,21,24H,10H2,1-2H3,(H,25,28)(H,27,29)
InChIKeyNZHJBBOSMLFNGK-UHFFFAOYSA-N
XLogP22.64
TPSA537.67 Ų
H-Bond Donors18
H-Bond Acceptors36
Rotatable Bonds31
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002345.72
LogP ≤ 522.64
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1036

Analyze 4-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(6-cyclopropylpyridazin-3-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(5-cyclopropylpyrimidin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one with MolForge

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Related Compounds

N-[2-[3-[(6-methoxy-2-pyridinyl)carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]-4-pyridinyl]-1-[2-methyl-6-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123473923
[5-methyl-2-(1-methylpyrazol-4-yl)phenyl]-[(2E)-3-[2-[1-[4-methyl-2-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]ethyl]-2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethylidene]piperidin-1-yl]methanone
CID 144902901
N-[3-(difluoromethyl)-1-[4-[[[6-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-3-pyridinyl]-methylamino]methyl]cyclohexyl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599496
N-[3-(difluoromethyl)-1-[4-[[[6-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-3-pyridinyl]methylamino]methyl]cyclohexyl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599498
N-[3-(difluoromethyl)-1-[4-[[2-[6-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-3-pyridinyl]ethylamino]methyl]cyclohexyl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156904495
2-[2-(difluoromethoxy)-3-pyridinyl]-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;7-[[4-(1,4-dimethylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(1-methylindol-7-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157121825
CID 157178948
CID 157178948
2-(2-acetylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157230794
3-[6-(1-Butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-1,2,3-benzotriazin-4-one;3-[6-(1-butan-2-ylimidazol-2-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)chromen-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]-1,2,3-benzotriazin-4-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]chromen-4-one;7-(4-cyclopropylimidazol-1-yl)-2-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]isoquinolin-1-one;6-(4-cyclopropylimidazol-1-yl)-3-[6-[1-(1,1,1-trifluoropropan-2-yl)imidazol-2-yl]-2-pyridinyl]quinazolin-4-one
CID 157239467
7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157288069
CID 157328781
CID 157328781
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-(1-methylpiperidin-4-yl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157542731

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(6-cyclopropylpyridazin-3-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(5-cyclopropylpyrimidin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(6-cyclopropylpyridazin-3-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(5-cyclopropylpyrimidin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one (CID 159928222) is 4-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(6-cyclopropylpyridazin-3-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(5-cyclopropylpyrimidin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(6-cyclopropylpyridazin-3-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(5-cyclopropylpyrimidin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(6-cyclopropylpyridazin-3-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(5-cyclopropylpyrimidin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one is CNc1ccc(-c2cnc(Nc3ccc(C4CC4)nn3)cc2C)c2c1C(=O)NC2.CNc1ccc(-c2cnc(Nc3ccc(N(C)C)nc3)cc2C)c2c1C(=O)NC2.CNc1ccc(-c2cnc(Nc3ccc(OC(F)F)nc3)cc2C)c2c1C(=O)NC2.CNc1ccc(-c2cnc(Nc3cnc(C4CC4)cn3)cc2C)c2c1C(=O)NC2.CNc1ccc(-c2cnc(Nc3cnc(C4CC4)nc3)cc2C)c2c1C(=O)NC2.CNc1ccc(-c2cnc(Nc3ncc(C4CC4)cn3)cc2C)c2c1C(=O)NC2.
What is the InChIKey of 4-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(6-cyclopropylpyridazin-3-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(5-cyclopropylpyrimidin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one?
The InChIKey is NZHJBBOSMLFNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C22H22N6O.C22H24N6O.C21H19F2N5O2/c1-12-7-19(28-14-8-25-21(26-9-14)13-3-4-13)24-10-16(12)15-5-6-18(23-2)20-17(15)11-27-22(20)29;1-12-7-19(28-22-26-8-14(9-27-22)13-3-4-13)24-10-16(12)15-5-6-18(23-2)20-17(15)11-25-21(20)29;1-12-7-19(28-20-11-24-18(10-26-20)13-3-4-13)25-8-15(12)14-5-6-17(23-2)21-16(14)9-27-22(21)29;1-12-9-20(26-19-8-7-17(27-28-19)13-3-4-13)24-10-15(12)14-5-6-18(23-2)21-16(14)11-25-22(21)29;1-13-9-19(27-14-5-8-20(25-10-14)28(3)4)24-11-16(13)15-6-7-18(23-2)21-17(15)12-26-22(21)29;1-11-7-17(28-12-3-6-18(26-8-12)30-21(22)23)25-9-14(11)13-4-5-16(24-2)19-15(13)10-27-20(19)29/h5-10,13,23H,3-4,11H2,1-2H3,(H,24,28)(H,27,29);5-10,13,23H,3-4,11H2,1-2H3,(H,25,29)(H,24,26,27,28);5-8,10-11,13,23H,3-4,9H2,1-2H3,(H,27,29)(H,25,26,28);5-10,13,23H,3-4,11H2,1-2H3,(H,25,29)(H,24,26,28);5-11,23H,12H2,1-4H3,(H,24,27)(H,26,29);3-9,21,24H,10H2,1-2H3,(H,25,28)(H,27,29).
What are the key properties of 4-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(6-cyclopropylpyridazin-3-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(5-cyclopropylpyrimidin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one?
4-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(6-cyclopropylpyridazin-3-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(5-cyclopropylpyrimidin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one has a molecular weight of 2345.72 g/mol, XLogP of 22.64, 31 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(5-cyclopropylpyrazin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(6-cyclopropylpyridazin-3-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(2-cyclopropylpyrimidin-5-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[(5-cyclopropylpyrimidin-2-yl)amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one;4-[6-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-3-pyridinyl]-7-(methylamino)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 159928222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).