(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide

C97H101N33O5S — CID 162155527

IUPAC(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide
SMILESCCCn1ccc(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)n1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NC[C@H]3CCCO3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3nccn3C(C)C)[nH]c12.Cc1nc2c(s1)CN(C(=O)c1cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]1)C2
InChIInChI=1S/2C25H27N9O.C24H22N8OS.C23H25N7O2/c1-15(2)34-8-7-26-22(34)12-28-24(35)20-11-17-10-18(9-16(3)23(17)31-20)30-25-27-6-5-19(32-25)21-13-33(4)14-29-21;1-4-8-34-9-6-18(32-34)13-27-24(35)21-12-17-11-19(10-16(2)23(17)30-21)29-25-26-7-5-20(31-25)22-14-33(3)15-28-22;1-13-6-16(28-24-25-5-4-17(30-24)19-9-31(3)12-26-19)7-15-8-18(29-22(13)15)23(33)32-10-20-21(11-32)34-14(2)27-20;1-14-8-16(27-23-24-6-5-18(29-23)20-12-30(2)13-26-20)9-15-10-19(28-21(14)15)22(31)25-11-17-4-3-7-32-17/h5-11,13-15,31H,12H2,1-4H3,(H,28,35)(H,27,30,32);5-7,9-12,14-15,30H,4,8,13H2,1-3H3,(H,27,35)(H,26,29,31);4-9,12,29H,10-11H2,1-3H3,(H,25,28,30);5-6,8-10,12-13,17,28H,3-4,7,11H2,1-2H3,(H,25,31)(H,24,27,29)/t;;;17-/m...1/s1
InChIKeyZLTUUWMCDVTQLO-SFXRAUSLSA-N
MW1841.17 g/mol
LogP15.72
Rot. Bonds25

About (2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide

(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 162155527) has the molecular formula C97H101N33O5S and a molecular weight of 1841.17 g/mol. Its IUPAC name is (2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide
PubChem CID162155527
Molecular FormulaC97H101N33O5S
Molecular Weight1841.17 g/mol
Exact Mass1839.84
IUPAC Name(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide
SMILESCCCn1ccc(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)n1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NC[C@H]3CCCO3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3nccn3C(C)C)[nH]c12.Cc1nc2c(s1)CN(C(=O)c1cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]1)C2
InChIInChI=1S/2C25H27N9O.C24H22N8OS.C23H25N7O2/c1-15(2)34-8-7-26-22(34)12-28-24(35)20-11-17-10-18(9-16(3)23(17)31-20)30-25-27-6-5-19(32-25)21-13-33(4)14-29-21;1-4-8-34-9-6-18(32-34)13-27-24(35)21-12-17-11-19(10-16(2)23(17)30-21)29-25-26-7-5-20(31-25)22-14-33(3)15-28-22;1-13-6-16(28-24-25-5-4-17(30-24)19-9-31(3)12-26-19)7-15-8-18(29-22(13)15)23(33)32-10-20-21(11-32)34-14(2)27-20;1-14-8-16(27-23-24-6-5-18(29-23)20-12-30(2)13-26-20)9-15-10-19(28-21(14)15)22(31)25-11-17-4-3-7-32-17/h5-11,13-15,31H,12H2,1-4H3,(H,28,35)(H,27,30,32);5-7,9-12,14-15,30H,4,8,13H2,1-3H3,(H,27,35)(H,26,29,31);4-9,12,29H,10-11H2,1-3H3,(H,25,28,30);5-6,8-10,12-13,17,28H,3-4,7,11H2,1-2H3,(H,25,31)(H,24,27,29)/t;;;17-/m...1/s1
InChIKeyZLTUUWMCDVTQLO-SFXRAUSLSA-N
XLogP15.72
TPSA451.05 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001841.17
LogP ≤ 515.72
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Analyze (2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

7-[(4-aminopiperidin-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(2-oxa-8-azaspiro[4.5]decan-8-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[(2S)-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide;4-(2-methyl-1,3-thiazol-5-yl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 158046869
N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide
CID 90913184
[6-[4-[2-[[5-methoxy-2-[2-(1,3-thiazol-2-yl)-1H-indol-6-yl]pyrimidin-4-yl]amino]-5-(1H-pyrazol-4-yl)phenyl]-6-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indol-2-yl]-[(2R)-2-methylpiperazin-1-yl]methanone
CID 137387806
N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone
CID 157290415
N-(2-aminoethyl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide;4-(1-benzylpyrazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-(1,5-dimethylpyrazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;N-ethyl-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide;12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carboxamide;5-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3-thiazole
CID 158096889
N-cyclopropyl-5-[[2-[(2R)-2-ethylpyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-5-[[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]amino]-2-methylindole-1-carboxamide;N-cyclopropyl-2-methyl-5-[[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]amino]indole-1-carboxamide
CID 158140149
N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide
CID 158595699
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)methyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
CID 158758816
6-cyano-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-2-oxo-1H-quinoline-6-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]benzamide;3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 158900309
N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1H-pyrazol-5-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 159593784
tert-butyl 4-[4-[3-(1,3-thiazol-2-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[3-(1,3-thiazol-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[3-(1,3-thiazol-5-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;1-[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-(2-methoxyethoxy)ethanone;[4-[4-(1H-indazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-pyridin-2-ylmethanone;2-(2-methoxyethoxy)-1-[4-[4-[(1-methylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 159996921
(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide
CID 160028397

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of (2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide (CID 162155527) is (2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for (2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for (2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide is CCCn1ccc(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)n1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NC[C@H]3CCCO3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3nccn3C(C)C)[nH]c12.Cc1nc2c(s1)CN(C(=O)c1cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]1)C2.
What is the InChIKey of (2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is ZLTUUWMCDVTQLO-SFXRAUSLSA-N. The full InChI is InChI=1S/2C25H27N9O.C24H22N8OS.C23H25N7O2/c1-15(2)34-8-7-26-22(34)12-28-24(35)20-11-17-10-18(9-16(3)23(17)31-20)30-25-27-6-5-19(32-25)21-13-33(4)14-29-21;1-4-8-34-9-6-18(32-34)13-27-24(35)21-12-17-11-19(10-16(2)23(17)30-21)29-25-26-7-5-20(31-25)22-14-33(3)15-28-22;1-13-6-16(28-24-25-5-4-17(30-24)19-9-31(3)12-26-19)7-15-8-18(29-22(13)15)23(33)32-10-20-21(11-32)34-14(2)27-20;1-14-8-16(27-23-24-6-5-18(29-23)20-12-30(2)13-26-20)9-15-10-19(28-21(14)15)22(31)25-11-17-4-3-7-32-17/h5-11,13-15,31H,12H2,1-4H3,(H,28,35)(H,27,30,32);5-7,9-12,14-15,30H,4,8,13H2,1-3H3,(H,27,35)(H,26,29,31);4-9,12,29H,10-11H2,1-3H3,(H,25,28,30);5-6,8-10,12-13,17,28H,3-4,7,11H2,1-2H3,(H,25,31)(H,24,27,29)/t;;;17-/m...1/s1.
What are the key properties of (2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide?
(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 1841.17 g/mol, XLogP of 15.72, 25 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-propylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 162155527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).