6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-ethyl-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-(pyridazin-3-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide

C96H92N34O5 — CID 158845636

IUPAC6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-ethyl-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-(pyridazin-3-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
SMILESCCN(Cc1nccn1C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCc4oncc4C3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cccnc3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cccnn3)[nH]c12
InChIInChI=1S/C25H27N9O.C24H22N8O2.C24H22N8O.C23H21N9O/c1-5-34(14-22-26-8-9-33(22)4)24(35)20-12-17-11-18(10-16(2)23(17)30-20)29-25-27-7-6-19(31-25)21-13-32(3)15-28-21;1-14-7-17(28-24-25-5-3-18(30-24)20-12-31(2)13-26-20)8-15-9-19(29-22(14)15)23(33)32-6-4-21-16(11-32)10-27-34-21;1-15-8-18(29-24-26-7-5-19(31-24)21-13-32(2)14-28-21)9-17-10-20(30-22(15)17)23(33)27-12-16-4-3-6-25-11-16;1-14-8-17(28-23-24-7-5-18(30-23)20-12-32(2)13-26-20)9-15-10-19(29-21(14)15)22(33)25-11-16-4-3-6-27-31-16/h6-13,15,30H,5,14H2,1-4H3,(H,27,29,31);3,5,7-10,12-13,29H,4,6,11H2,1-2H3,(H,25,28,30);3-11,13-14,30H,12H2,1-2H3,(H,27,33)(H,26,29,31);3-10,12-13,29H,11H2,1-2H3,(H,25,33)(H,24,28,30)
InChIKeyIYUGWNCVFKHYNU-UHFFFAOYSA-N
MW1802.02 g/mol
LogP14.27
Rot. Bonds23

About 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-ethyl-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-(pyridazin-3-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide

6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-ethyl-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-(pyridazin-3-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 158845636) has the molecular formula C96H92N34O5 and a molecular weight of 1802.02 g/mol. Its IUPAC name is 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-ethyl-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-(pyridazin-3-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-ethyl-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-(pyridazin-3-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
PubChem CID158845636
Molecular FormulaC96H92N34O5
Molecular Weight1802.02 g/mol
Exact Mass1800.80
IUPAC Name6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-ethyl-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-(pyridazin-3-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
SMILESCCN(Cc1nccn1C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCc4oncc4C3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cccnc3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cccnn3)[nH]c12
InChIInChI=1S/C25H27N9O.C24H22N8O2.C24H22N8O.C23H21N9O/c1-5-34(14-22-26-8-9-33(22)4)24(35)20-12-17-11-18(10-16(2)23(17)30-20)29-25-27-7-6-19(31-25)21-13-32(3)15-28-21;1-14-7-17(28-24-25-5-3-18(30-24)20-12-31(2)13-26-20)8-15-9-19(29-22(14)15)23(33)32-6-4-21-16(11-32)10-27-34-21;1-15-8-18(29-24-26-7-5-19(31-24)21-13-32(2)14-28-21)9-17-10-20(30-22(15)17)23(33)27-12-16-4-3-6-25-11-16;1-14-8-17(28-23-24-7-5-18(30-23)20-12-32(2)13-26-20)9-15-10-19(29-21(14)15)22(33)25-11-16-4-3-6-27-31-16/h6-13,15,30H,5,14H2,1-4H3,(H,27,29,31);3,5,7-10,12-13,29H,4,6,11H2,1-2H3,(H,25,28,30);3-11,13-14,30H,12H2,1-2H3,(H,27,33)(H,26,29,31);3-10,12-13,29H,11H2,1-2H3,(H,25,33)(H,24,28,30)
InChIKeyIYUGWNCVFKHYNU-UHFFFAOYSA-N
XLogP14.27
TPSA467.02 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001802.02
LogP ≤ 514.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Analyze 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-ethyl-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-(pyridazin-3-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide with MolForge

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Related Compounds

6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone
CID 72188342
1-[2-[2-[[2-[3-[[4-[3-carbamoyl-1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazol-5-yl]pyridazin-1-ium-1-yl]methyl]phenyl]-1H-benzimidazol-4-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 123517016
6-[4-[[2-[6-(1H-indazol-5-ylamino)-2-[2-[[3-(trifluoromethyl)pyridin-4-yl]carbamoyl]-1H-indol-6-yl]pyrimidin-4-yl]-6-(1H-pyrazol-4-yl)pyridin-3-yl]amino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 137387712
2-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,5-dimethylpyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 138655261
5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157988375
5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158222114
imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158614349
5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 159061922
imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159141124
imidazo[1,2-a]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 161090519
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[2-cyclopropyl-4-(trifluoromethyl)imidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(2R)-5-[5-(difluoromethyl)-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(6-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 161104195
N-[2-(difluoromethyl)-4-pyridinyl]-1-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-3-[2-(3,4-difluorophenyl)acetyl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-1-[(3R)-4,4,4-trifluoro-3-methylbutanoyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;(6S)-N-(3,4-difluorophenyl)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(7R)-N-(3,4-difluorophenyl)-7-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxamide;(6S)-5-N-(4-fluoro-3-methylphenyl)-6-methyl-3-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 161438404

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-ethyl-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-(pyridazin-3-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-ethyl-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-(pyridazin-3-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide (CID 158845636) is 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-ethyl-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-(pyridazin-3-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-ethyl-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-(pyridazin-3-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-ethyl-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-(pyridazin-3-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide is CCN(Cc1nccn1C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCc4oncc4C3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cccnc3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cccnn3)[nH]c12.
What is the InChIKey of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-ethyl-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-(pyridazin-3-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is IYUGWNCVFKHYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O.C24H22N8O2.C24H22N8O.C23H21N9O/c1-5-34(14-22-26-8-9-33(22)4)24(35)20-12-17-11-18(10-16(2)23(17)30-20)29-25-27-7-6-19(31-25)21-13-32(3)15-28-21;1-14-7-17(28-24-25-5-3-18(30-24)20-12-31(2)13-26-20)8-15-9-19(29-22(14)15)23(33)32-6-4-21-16(11-32)10-27-34-21;1-15-8-18(29-24-26-7-5-19(31-24)21-13-32(2)14-28-21)9-17-10-20(30-22(15)17)23(33)27-12-16-4-3-6-25-11-16;1-14-8-17(28-23-24-7-5-18(30-23)20-12-32(2)13-26-20)9-15-10-19(29-21(14)15)22(33)25-11-16-4-3-6-27-31-16/h6-13,15,30H,5,14H2,1-4H3,(H,27,29,31);3,5,7-10,12-13,29H,4,6,11H2,1-2H3,(H,25,28,30);3-11,13-14,30H,12H2,1-2H3,(H,27,33)(H,26,29,31);3-10,12-13,29H,11H2,1-2H3,(H,25,33)(H,24,28,30).
What are the key properties of 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-ethyl-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-(pyridazin-3-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide?
6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-ethyl-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-(pyridazin-3-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 1802.02 g/mol, XLogP of 14.27, 23 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-ethyl-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-(pyridazin-3-ylmethyl)-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 158845636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).