2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

C184H233N47O19S6 — CID 158084058

IUPAC2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCOc1cc(C2CCN(C(=O)CN(C)C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.Cc1cc(CN2CCC(c3cc(OC(C)C)c(Nc4nc(Nc5ccccc5S(=O)(=O)C(C)C)n5nccc5n4)cc3C)CC2)n[nH]1.Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)n3nccc3n2)c(OC(C)C)cc1C1CCN(C)CC1.Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)n3nccc3n2)c(OC(C)C)cc1C1CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/2C34H43N9O3S.C31H40N8O4S.C30H39N7O3S.C28H35N7O3S.C27H33N7O3S/c1-22(2)46-30-18-27(26-12-15-42(16-13-26)21-25-19-36-41(6)20-25)24(5)17-29(30)37-33-39-32-11-14-35-43(32)34(40-33)38-28-9-7-8-10-31(28)47(44,45)23(3)4;1-21(2)46-30-19-27(25-12-15-42(16-13-25)20-26-18-24(6)40-41-26)23(5)17-29(30)36-33-38-32-11-14-35-43(32)34(39-33)37-28-9-7-8-10-31(28)47(44,45)22(3)4;1-20(2)44(41,42)27-10-8-7-9-24(27)34-31-36-30(35-28-11-14-32-39(28)31)33-25-17-21(3)23(18-26(25)43-6)22-12-15-38(16-13-22)29(40)19-37(4)5;1-19(2)40-26-18-23(22-12-15-36(6)16-13-22)21(5)17-25(26)32-29-34-28-11-14-31-37(28)30(35-29)33-24-9-7-8-10-27(24)41(38,39)20(3)4;1-18(2)39(36,37)25-9-7-6-8-22(25)31-28-33-27(32-26-10-13-29-35(26)28)30-23-16-19(3)21(17-24(23)38-5)20-11-14-34(4)15-12-20;1-17(2)38(35,36)24-8-6-5-7-21(24)31-27-33-26(32-25-11-14-29-34(25)27)30-22-15-18(3)20(16-23(22)37-4)19-9-12-28-13-10-19/h7-11,14,17-20,22-23,26H,12-13,15-16,21H2,1-6H3,(H2,37,38,39,40);7-11,14,17-19,21-22,25H,12-13,15-16,20H2,1-6H3,(H,40,41)(H2,36,37,38,39);7-11,14,17-18,20,22H,12-13,15-16,19H2,1-6H3,(H2,33,34,35,36);7-11,14,17-20,22H,12-13,15-16H2,1-6H3,(H2,32,33,34,35);6-10,13,16-18,20H,11-12,14-15H2,1-5H3,(H2,30,31,32,33);5-8,11,14-17,19,28H,9-10,12-13H2,1-4H3,(H2,30,31,32,33)
InChIKeyFNHLTCUSYSKIGB-UHFFFAOYSA-N
MW3599.60 g/mol
LogP31.88
Rot. Bonds57

About 2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (PubChem CID 158084058) has the molecular formula C184H233N47O19S6 and a molecular weight of 3599.60 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
PubChem CID158084058
Molecular FormulaC184H233N47O19S6
Molecular Weight3599.60 g/mol
Exact Mass3596.70
IUPAC Name2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCOc1cc(C2CCN(C(=O)CN(C)C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.Cc1cc(CN2CCC(c3cc(OC(C)C)c(Nc4nc(Nc5ccccc5S(=O)(=O)C(C)C)n5nccc5n4)cc3C)CC2)n[nH]1.Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)n3nccc3n2)c(OC(C)C)cc1C1CCN(C)CC1.Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)n3nccc3n2)c(OC(C)C)cc1C1CCN(Cc2cnn(C)c2)CC1
InChIInChI=1S/2C34H43N9O3S.C31H40N8O4S.C30H39N7O3S.C28H35N7O3S.C27H33N7O3S/c1-22(2)46-30-18-27(26-12-15-42(16-13-26)21-25-19-36-41(6)20-25)24(5)17-29(30)37-33-39-32-11-14-35-43(32)34(40-33)38-28-9-7-8-10-31(28)47(44,45)23(3)4;1-21(2)46-30-19-27(25-12-15-42(16-13-25)20-26-18-24(6)40-41-26)23(5)17-29(30)36-33-38-32-11-14-35-43(32)34(39-33)37-28-9-7-8-10-31(28)47(44,45)22(3)4;1-20(2)44(41,42)27-10-8-7-9-24(27)34-31-36-30(35-28-11-14-32-39(28)31)33-25-17-21(3)23(18-26(25)43-6)22-12-15-38(16-13-22)29(40)19-37(4)5;1-19(2)40-26-18-23(22-12-15-36(6)16-13-22)21(5)17-25(26)32-29-34-28-11-14-31-37(28)30(35-29)33-24-9-7-8-10-27(24)41(38,39)20(3)4;1-18(2)39(36,37)25-9-7-6-8-22(25)31-28-33-27(32-26-10-13-29-35(26)28)30-23-16-19(3)21(17-24(23)38-5)20-11-14-34(4)15-12-20;1-17(2)38(35,36)24-8-6-5-7-21(24)31-27-33-26(32-25-11-14-29-34(25)27)30-22-15-18(3)20(16-23(22)37-4)19-9-12-28-13-10-19/h7-11,14,17-20,22-23,26H,12-13,15-16,21H2,1-6H3,(H2,37,38,39,40);7-11,14,17-19,21-22,25H,12-13,15-16,20H2,1-6H3,(H,40,41)(H2,36,37,38,39);7-11,14,17-18,20,22H,12-13,15-16,19H2,1-6H3,(H2,33,34,35,36);7-11,14,17-20,22H,12-13,15-16H2,1-6H3,(H2,32,33,34,35);6-10,13,16-18,20H,11-12,14-15H2,1-5H3,(H2,30,31,32,33);5-8,11,14-17,19,28H,9-10,12-13H2,1-4H3,(H2,30,31,32,33)
InChIKeyFNHLTCUSYSKIGB-UHFFFAOYSA-N
XLogP31.88
TPSA758.10 Ų
H-Bond Donors14
H-Bond Acceptors64
Rotatable Bonds57
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003599.60
LogP ≤ 531.88
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1064

Analyze 2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine with MolForge

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Related Compounds

2-imidazol-1-yl-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]ethanone
CID 44467029
1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 44467031
[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 44467032
2-(dimethylamino)-1-(4-(5-isopropoxy-4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-methylphenyl)piperidin-1-yl)ethanone
CID 44467753
2-(4-(5-isopropoxy-4-(4-(2-(isopropylsulfonyl)phenylamino)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-methylphenyl)piperidin-1-yl)-N-methylacetamide
CID 44467828
2-(dimethylamino)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]ethanone
CID 44468102
1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 44468103
2-(4-(5-isopropoxy-4-(4-(2-(isopropylsulfonyl)phenylamino)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-methylphenyl)piperidin-1-yl)acetamide
CID 58290843
2-[(3S)-3-fluoropyrrolidin-1-yl]-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone
CID 44477007
2-[(3R)-3-fluoropyrrolidin-1-yl]-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone
CID 44477269
2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[3,4-d]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;(2S)-1,1,1-trifluoro-3-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]phenyl]piperidin-1-yl]propan-2-ol;(2R)-1,1,1-trifluoro-3-[4-[2-methyl-5-propan-2-yloxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]phenyl]piperidin-1-yl]propan-2-ol
CID 160409256
3-(azetidin-1-yl)-1-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propan-1-one;(2R)-3,3-difluoro-1-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]butan-2-ol;6-N-[4-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-2-propan-2-yloxyphenyl]-3-methyl-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 161210929

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The IUPAC name of 2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (CID 158084058) is 2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The canonical SMILES for 2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is COc1cc(C2CCN(C(=O)CN(C)C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.Cc1cc(CN2CCC(c3cc(OC(C)C)c(Nc4nc(Nc5ccccc5S(=O)(=O)C(C)C)n5nccc5n4)cc3C)CC2)n[nH]1.Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)n3nccc3n2)c(OC(C)C)cc1C1CCN(C)CC1.Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)n3nccc3n2)c(OC(C)C)cc1C1CCN(Cc2cnn(C)c2)CC1.
What is the InChIKey of 2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The InChIKey is FNHLTCUSYSKIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H43N9O3S.C31H40N8O4S.C30H39N7O3S.C28H35N7O3S.C27H33N7O3S/c1-22(2)46-30-18-27(26-12-15-42(16-13-26)21-25-19-36-41(6)20-25)24(5)17-29(30)37-33-39-32-11-14-35-43(32)34(40-33)38-28-9-7-8-10-31(28)47(44,45)23(3)4;1-21(2)46-30-19-27(25-12-15-42(16-13-25)20-26-18-24(6)40-41-26)23(5)17-29(30)36-33-38-32-11-14-35-43(32)34(39-33)37-28-9-7-8-10-31(28)47(44,45)22(3)4;1-20(2)44(41,42)27-10-8-7-9-24(27)34-31-36-30(35-28-11-14-32-39(28)31)33-25-17-21(3)23(18-26(25)43-6)22-12-15-38(16-13-22)29(40)19-37(4)5;1-19(2)40-26-18-23(22-12-15-36(6)16-13-22)21(5)17-25(26)32-29-34-28-11-14-31-37(28)30(35-29)33-24-9-7-8-10-27(24)41(38,39)20(3)4;1-18(2)39(36,37)25-9-7-6-8-22(25)31-28-33-27(32-26-10-13-29-35(26)28)30-23-16-19(3)21(17-24(23)38-5)20-11-14-34(4)15-12-20;1-17(2)38(35,36)24-8-6-5-7-21(24)31-27-33-26(32-25-11-14-29-34(25)27)30-22-15-18(3)20(16-23(22)37-4)19-9-12-28-13-10-19/h7-11,14,17-20,22-23,26H,12-13,15-16,21H2,1-6H3,(H2,37,38,39,40);7-11,14,17-19,21-22,25H,12-13,15-16,20H2,1-6H3,(H,40,41)(H2,36,37,38,39);7-11,14,17-18,20,22H,12-13,15-16,19H2,1-6H3,(H2,33,34,35,36);7-11,14,17-20,22H,12-13,15-16H2,1-6H3,(H2,32,33,34,35);6-10,13,16-18,20H,11-12,14-15H2,1-5H3,(H2,30,31,32,33);5-8,11,14-17,19,28H,9-10,12-13H2,1-4H3,(H2,30,31,32,33).
What are the key properties of 2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine has a molecular weight of 3599.60 g/mol, XLogP of 31.88, 57 rotatable bonds, 14 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[5-methoxy-2-methyl-4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;2-N-[2-methoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-methoxy-5-methyl-4-piperidin-4-ylphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-[5-methyl-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is sourced from PubChem (CID 158084058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).