tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine

C162H240F3N43O14 — CID 159048454

IUPACtert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine
SMILESCC(C)(C)OC(=O)N(CCCN(C(=O)OC(C)(C)C)C1CCCCC1)CCCn1cc(CNc2nc(NC3CCN(C(=O)C(F)(F)F)CC3)c3ccccc3n2)nn1.CC(C)(C)OC(=O)N(CCCN(C(=O)OC(C)(C)C)C1CCCCC1)CCCn1cc(CNc2nc(NC3CCN(Cc4ccccn4)CC3)c3ccccc3n2)nn1.CC(C)(C)OC(=O)N(CCCN(C(=O)OC(C)(C)C)C1CCCCC1)CCCn1cc(CNc2nc(NC3CCNCC3)c3ccccc3n2)nn1.COc1ccccn1.c1ccc(CN2CCC(Nc3nc(NCc4cn(CCCNCCCNC5CCCCC5)nn4)nc4ccccc34)CC2)nc1
InChIInChI=1S/C44H65N11O4.C40H59F3N10O5.C38H60N10O4.C34H49N11.C6H7NO/c1-43(2,3)58-41(56)53(25-15-27-55(36-17-8-7-9-18-36)42(57)59-44(4,5)6)24-14-26-54-32-35(50-51-54)30-46-40-48-38-20-11-10-19-37(38)39(49-40)47-33-21-28-52(29-22-33)31-34-16-12-13-23-45-34;1-38(2,3)57-36(55)51(21-13-23-53(30-14-8-7-9-15-30)37(56)58-39(4,5)6)20-12-22-52-27-29(48-49-52)26-44-35-46-32-17-11-10-16-31(32)33(47-35)45-28-18-24-50(25-19-28)34(54)40(41,42)43;1-37(2,3)51-35(49)46(23-13-25-48(30-14-8-7-9-15-30)36(50)52-38(4,5)6)22-12-24-47-27-29(44-45-47)26-40-34-42-32-17-11-10-16-31(32)33(43-34)41-28-18-20-39-21-19-28;1-2-10-27(11-3-1)36-20-8-17-35-18-9-21-45-26-30(42-43-45)24-38-34-40-32-14-5-4-13-31(32)33(41-34)39-28-15-22-44(23-16-28)25-29-12-6-7-19-37-29;1-8-6-4-2-3-5-7-6/h10-13,16,19-20,23,32-33,36H,7-9,14-15,17-18,21-22,24-31H2,1-6H3,(H2,46,47,48,49);10-11,16-17,27-28,30H,7-9,12-15,18-26H2,1-6H3,(H2,44,45,46,47);10-11,16-17,27-28,30,39H,7-9,12-15,18-26H2,1-6H3,(H2,40,41,42,43);4-7,12-14,19,26-28,35-36H,1-3,8-11,15-18,20-25H2,(H2,38,39,40,41);2-5H,1H3
InChIKeyJWYLAQXORYQZHP-UHFFFAOYSA-N
MW3070.98 g/mol
LogP27.55
Rot. Bonds61

About tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine

tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine (PubChem CID 159048454) has the molecular formula C162H240F3N43O14 and a molecular weight of 3070.98 g/mol. Its IUPAC name is tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine.

Molecular Properties

Compound Nametert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine
PubChem CID159048454
Molecular FormulaC162H240F3N43O14
Molecular Weight3070.98 g/mol
Exact Mass3068.93
IUPAC Nametert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine
SMILESCC(C)(C)OC(=O)N(CCCN(C(=O)OC(C)(C)C)C1CCCCC1)CCCn1cc(CNc2nc(NC3CCN(C(=O)C(F)(F)F)CC3)c3ccccc3n2)nn1.CC(C)(C)OC(=O)N(CCCN(C(=O)OC(C)(C)C)C1CCCCC1)CCCn1cc(CNc2nc(NC3CCN(Cc4ccccn4)CC3)c3ccccc3n2)nn1.CC(C)(C)OC(=O)N(CCCN(C(=O)OC(C)(C)C)C1CCCCC1)CCCn1cc(CNc2nc(NC3CCNCC3)c3ccccc3n2)nn1.COc1ccccn1.c1ccc(CN2CCC(Nc3nc(NCc4cn(CCCNCCCNC5CCCCC5)nn4)nc4ccccc34)CC2)nc1
InChIInChI=1S/C44H65N11O4.C40H59F3N10O5.C38H60N10O4.C34H49N11.C6H7NO/c1-43(2,3)58-41(56)53(25-15-27-55(36-17-8-7-9-18-36)42(57)59-44(4,5)6)24-14-26-54-32-35(50-51-54)30-46-40-48-38-20-11-10-19-37(38)39(49-40)47-33-21-28-52(29-22-33)31-34-16-12-13-23-45-34;1-38(2,3)57-36(55)51(21-13-23-53(30-14-8-7-9-15-30)37(56)58-39(4,5)6)20-12-22-52-27-29(48-49-52)26-44-35-46-32-17-11-10-16-31(32)33(47-35)45-28-18-24-50(25-19-28)34(54)40(41,42)43;1-37(2,3)51-35(49)46(23-13-25-48(30-14-8-7-9-15-30)36(50)52-38(4,5)6)22-12-24-47-27-29(44-45-47)26-40-34-42-32-17-11-10-16-31(32)33(43-34)41-28-18-20-39-21-19-28;1-2-10-27(11-3-1)36-20-8-17-35-18-9-21-45-26-30(42-43-45)24-38-34-40-32-14-5-4-13-31(32)33(41-34)39-28-15-22-44(23-16-28)25-29-12-6-7-19-37-29;1-8-6-4-2-3-5-7-6/h10-13,16,19-20,23,32-33,36H,7-9,14-15,17-18,21-22,24-31H2,1-6H3,(H2,46,47,48,49);10-11,16-17,27-28,30H,7-9,12-15,18-26H2,1-6H3,(H2,44,45,46,47);10-11,16-17,27-28,30,39H,7-9,12-15,18-26H2,1-6H3,(H2,40,41,42,43);4-7,12-14,19,26-28,35-36H,1-3,8-11,15-18,20-25H2,(H2,38,39,40,41);2-5H,1H3
InChIKeyJWYLAQXORYQZHP-UHFFFAOYSA-N
XLogP27.55
TPSA610.22 Ų
H-Bond Donors11
H-Bond Acceptors50
Rotatable Bonds61
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003070.98
LogP ≤ 527.55
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[3-fluoro-5-[2-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]anilino]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-piperazin-1-ylphenyl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-[4-[3-(6-methoxy-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 157133710
tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;methane;2-methoxypyridine
CID 157831674
CID 158264857
CID 158264857
N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate
CID 159291145
tert-butyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-N-methylcarbamate;tert-butyl N-methyl-N-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)carbamate;ethyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-N-methylcarbamate;phenyl N-[1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]-N-methylcarbamate
CID 160784323
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 161616756
1-[4-[(3-fluoro-2-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;1-[4-[(5-isocyano-2-pyridinyl)oxy]cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;1-[4-(6-methoxypyridazin-3-yl)oxycyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[(3-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-(4-methylpyrimidin-2-yl)oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-1-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
CID 163475011
N-[6-(difluoromethoxy)-5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]-5-fluoropyrimidin-2-yl]amino]-6-methyl-2-morpholin-4-yl-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide;N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-6-(trifluoromethoxy)-3-pyridinyl]prop-2-enamide
CID 163634315
2-[4-[7-(2,3-dimethylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[7-(2-fluorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[7-[5-fluoro-2-(trifluoromethoxy)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[[(2R)-4-methylpiperazin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;2-[4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 163874597
7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 164990171
1-(3H-benzimidazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-(1-methylbenzimidazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 165025659
7-(cyclohexylamino)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;5-methoxy-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;1-(4-methoxyphenyl)-5-methyl-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 165074865

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine?
The IUPAC name of tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine (CID 159048454) is tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine.
What is the SMILES notation for tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine?
The canonical SMILES for tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine is CC(C)(C)OC(=O)N(CCCN(C(=O)OC(C)(C)C)C1CCCCC1)CCCn1cc(CNc2nc(NC3CCN(C(=O)C(F)(F)F)CC3)c3ccccc3n2)nn1.CC(C)(C)OC(=O)N(CCCN(C(=O)OC(C)(C)C)C1CCCCC1)CCCn1cc(CNc2nc(NC3CCN(Cc4ccccn4)CC3)c3ccccc3n2)nn1.CC(C)(C)OC(=O)N(CCCN(C(=O)OC(C)(C)C)C1CCCCC1)CCCn1cc(CNc2nc(NC3CCNCC3)c3ccccc3n2)nn1.COc1ccccn1.c1ccc(CN2CCC(Nc3nc(NCc4cn(CCCNCCCNC5CCCCC5)nn4)nc4ccccc34)CC2)nc1.
What is the InChIKey of tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine?
The InChIKey is JWYLAQXORYQZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H65N11O4.C40H59F3N10O5.C38H60N10O4.C34H49N11.C6H7NO/c1-43(2,3)58-41(56)53(25-15-27-55(36-17-8-7-9-18-36)42(57)59-44(4,5)6)24-14-26-54-32-35(50-51-54)30-46-40-48-38-20-11-10-19-37(38)39(49-40)47-33-21-28-52(29-22-33)31-34-16-12-13-23-45-34;1-38(2,3)57-36(55)51(21-13-23-53(30-14-8-7-9-15-30)37(56)58-39(4,5)6)20-12-22-52-27-29(48-49-52)26-44-35-46-32-17-11-10-16-31(32)33(47-35)45-28-18-24-50(25-19-28)34(54)40(41,42)43;1-37(2,3)51-35(49)46(23-13-25-48(30-14-8-7-9-15-30)36(50)52-38(4,5)6)22-12-24-47-27-29(44-45-47)26-40-34-42-32-17-11-10-16-31(32)33(43-34)41-28-18-20-39-21-19-28;1-2-10-27(11-3-1)36-20-8-17-35-18-9-21-45-26-30(42-43-45)24-38-34-40-32-14-5-4-13-31(32)33(41-34)39-28-15-22-44(23-16-28)25-29-12-6-7-19-37-29;1-8-6-4-2-3-5-7-6/h10-13,16,19-20,23,32-33,36H,7-9,14-15,17-18,21-22,24-31H2,1-6H3,(H2,46,47,48,49);10-11,16-17,27-28,30H,7-9,12-15,18-26H2,1-6H3,(H2,44,45,46,47);10-11,16-17,27-28,30,39H,7-9,12-15,18-26H2,1-6H3,(H2,40,41,42,43);4-7,12-14,19,26-28,35-36H,1-3,8-11,15-18,20-25H2,(H2,38,39,40,41);2-5H,1H3.
What are the key properties of tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine?
tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine has a molecular weight of 3070.98 g/mol, XLogP of 27.55, 61 rotatable bonds, 11 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;2-methoxypyridine is sourced from PubChem (CID 159048454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).