cyclopentyl-[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]methanone;[(1S,3R)-3-fluorocyclopentyl]-[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]methanone;[(1S,3R)-3-hydroxycyclopentyl]-[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]methanone;[(1S,3S)-3-hydroxycyclopentyl]-[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]methanone;[(1R,3S)-3-hydroxycyclopentyl]-[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]methanone;[(2S,3S)-3-hydroxypyrrolidin-2-yl]-[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]methanone

C197H244FN43O28S6 — CID 159377375

IUPACcyclopentyl-[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]methanone;[(1S,3R)-3-fluorocyclopentyl]-[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]methanone;[(1S,3R)-3-hydroxycyclopentyl]-[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]methanone;[(1S,3S)-3-hydroxycyclopentyl]-[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]methanone;[(1R,3S)-3-hydroxycyclopentyl]-[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]methanone;[(2S,3S)-3-hydroxypyrrolidin-2-yl]-[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]methanone
SMILESCOc1cc(C2CCN(C(=O)C3CCCC3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)[C@@H]3CC[C@H](O)C3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)[C@H]3CC[C@@H](F)C3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)[C@H]3CC[C@@H](O)C3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)[C@H]3CC[C@H](O)C3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)[C@H]3NCC[C@@H]3O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1
InChIInChI=1S/C33H40FN7O4S.3C33H41N7O5S.C33H41N7O4S.C32H40N8O5S/c1-20(2)46(43,44)29-8-6-5-7-26(29)37-33-39-32(38-30-11-14-35-41(30)33)36-27-17-21(3)25(19-28(27)45-4)22-12-15-40(16-13-22)31(42)23-9-10-24(34)18-23;3*1-20(2)46(43,44)29-8-6-5-7-26(29)36-33-38-32(37-30-11-14-34-40(30)33)35-27-17-21(3)25(19-28(27)45-4)22-12-15-39(16-13-22)31(42)23-9-10-24(41)18-23;1-21(2)45(42,43)29-12-8-7-11-26(29)36-33-38-32(37-30-13-16-34-40(30)33)35-27-19-22(3)25(20-28(27)44-4)23-14-17-39(18-15-23)31(41)24-9-5-6-10-24;1-19(2)46(43,44)27-8-6-5-7-23(27)36-32-38-31(37-28-10-14-34-40(28)32)35-24-17-20(3)22(18-26(24)45-4)21-11-15-39(16-12-21)30(42)29-25(41)9-13-33-29/h5-8,11,14,17,19-20,22-24H,9-10,12-13,15-16,18H2,1-4H3,(H2,36,37,38,39);3*5-8,11,14,17,19-20,22-24,41H,9-10,12-13,15-16,18H2,1-4H3,(H2,35,36,37,38);7-8,11-13,16,19-21,23-24H,5-6,9-10,14-15,17-18H2,1-4H3,(H2,35,36,37,38);5-8,10,14,17-19,21,25,29,33,41H,9,11-13,15-16H2,1-4H3,(H2,35,36,37,38)/t3*23-,24+;23-,24-;;25-,29-/m0100.0/s1
InChIKeyLKMIIWGEVOQXTM-NBNYVBBOSA-N
MW3873.79 g/mol
LogP30.43
Rot. Bonds54

About cyclopentyl-[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]methanone;[(1S,3R)-3-fluorocyclopentyl]-[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]methanone;[(1S,3R)-3-hydroxycyclopentyl]-[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]methanone;[(1S,3S)-3-hydroxycyclopentyl]-[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]methanone;[(1R,3S)-3-hydroxycyclopentyl]-[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]methanone;[(2S,3S)-3-hydroxypyrrolidin-2-yl]-[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]methanone

cyclopentyl-[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]methanone;[(1S,3R)-3-fluorocyclopentyl]-[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]methanone;[(1S,3R)-3-hydroxycyclopentyl]-[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]methanone;[(1S,3S)-3-hydroxycyclopentyl]-[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]methanone;[(1R,3S)-3-hydroxycyclopentyl]-[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]methanone;[(2S,3S)-3-hydroxypyrrolidin-2-yl]-[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]methanone (PubChem CID 159377375) has the molecular formula C197H244FN43O28S6 and a molecular weight of 3873.79 g/mol. Its IUPAC name is cyclopentyl-[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]methanone;[(1S,3R)-3-fluorocyclopentyl]-[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]methanone;[(1S,3R)-3-hydroxycyclopentyl]-[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]methanone;[(1S,3S)-3-hydroxycyclopentyl]-[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]methanone;[(1R,3S)-3-hydroxycyclopentyl]-[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]methanone;[(2S,3S)-3-hydroxypyrrolidin-2-yl]-[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]methanone.

Molecular Properties

Compound Namecyclopentyl-[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]methanone;[(1S,3R)-3-fluorocyclopentyl]-[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]methanone;[(1S,3R)-3-hydroxycyclopentyl]-[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]methanone;[(1S,3S)-3-hydroxycyclopentyl]-[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]methanone;[(1R,3S)-3-hydroxycyclopentyl]-[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]methanone;[(2S,3S)-3-hydroxypyrrolidin-2-yl]-[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]methanone
PubChem CID159377375
Molecular FormulaC197H244FN43O28S6
Molecular Weight3873.79 g/mol
Exact Mass3870.73
IUPAC Namecyclopentyl-[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]methanone;[(1S,3R)-3-fluorocyclopentyl]-[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]methanone;[(1S,3R)-3-hydroxycyclopentyl]-[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]methanone;[(1S,3S)-3-hydroxycyclopentyl]-[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]methanone;[(1R,3S)-3-hydroxycyclopentyl]-[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]methanone;[(2S,3S)-3-hydroxypyrrolidin-2-yl]-[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]methanone
SMILESCOc1cc(C2CCN(C(=O)C3CCCC3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)[C@@H]3CC[C@H](O)C3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)[C@H]3CC[C@@H](F)C3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)[C@H]3CC[C@@H](O)C3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)[C@H]3CC[C@H](O)C3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)[C@H]3NCC[C@@H]3O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1
InChIInChI=1S/C33H40FN7O4S.3C33H41N7O5S.C33H41N7O4S.C32H40N8O5S/c1-20(2)46(43,44)29-8-6-5-7-26(29)37-33-39-32(38-30-11-14-35-41(30)33)36-27-17-21(3)25(19-28(27)45-4)22-12-15-40(16-13-22)31(42)23-9-10-24(34)18-23;3*1-20(2)46(43,44)29-8-6-5-7-26(29)36-33-38-32(37-30-11-14-34-40(30)33)35-27-17-21(3)25(19-28(27)45-4)22-12-15-39(16-13-22)31(42)23-9-10-24(41)18-23;1-21(2)45(42,43)29-12-8-7-11-26(29)36-33-38-32(37-30-13-16-34-40(30)33)35-27-19-22(3)25(20-28(27)44-4)23-14-17-39(18-15-23)31(41)24-9-5-6-10-24;1-19(2)46(43,44)27-8-6-5-7-23(27)36-32-38-31(37-28-10-14-34-40(28)32)35-24-17-20(3)22(18-26(24)45-4)21-11-15-39(16-12-21)30(42)29-25(41)9-13-33-29/h5-8,11,14,17,19-20,22-24H,9-10,12-13,15-16,18H2,1-4H3,(H2,36,37,38,39);3*5-8,11,14,17,19-20,22-24,41H,9-10,12-13,15-16,18H2,1-4H3,(H2,35,36,37,38);7-8,11-13,16,19-21,23-24H,5-6,9-10,14-15,17-18H2,1-4H3,(H2,35,36,37,38);5-8,10,14,17-19,21,25,29,33,41H,9,11-13,15-16H2,1-4H3,(H2,35,36,37,38)/t3*23-,24+;23-,24-;;25-,29-/m0100.0/s1
InChIKeyLKMIIWGEVOQXTM-NBNYVBBOSA-N
XLogP30.43
TPSA877.87 Ų
H-Bond Donors17
H-Bond Acceptors65
Rotatable Bonds54
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003873.79
LogP ≤ 530.43
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1065

Analyze cyclopentyl-[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]methanone;[(1S,3R)-3-fluorocyclopentyl]-[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]methanone;[(1S,3R)-3-hydroxycyclopentyl]-[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]methanone;[(1S,3S)-3-hydroxycyclopentyl]-[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]methanone;[(1R,3S)-3-hydroxycyclopentyl]-[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]methanone;[(2S,3S)-3-hydroxypyrrolidin-2-yl]-[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]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[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]methanone;[(1S,3R)-3-fluorocyclopentyl]-[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]methanone;[(1S,3R)-3-hydroxycyclopentyl]-[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]methanone;[(1S,3S)-3-hydroxycyclopentyl]-[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]methanone;[(1R,3S)-3-hydroxycyclopentyl]-[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]methanone;[(2S,3S)-3-hydroxypyrrolidin-2-yl]-[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]methanone?
The IUPAC name of cyclopentyl-[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]methanone;[(1S,3R)-3-fluorocyclopentyl]-[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]methanone;[(1S,3R)-3-hydroxycyclopentyl]-[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]methanone;[(1S,3S)-3-hydroxycyclopentyl]-[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]methanone;[(1R,3S)-3-hydroxycyclopentyl]-[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]methanone;[(2S,3S)-3-hydroxypyrrolidin-2-yl]-[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]methanone (CID 159377375) is cyclopentyl-[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]methanone;[(1S,3R)-3-fluorocyclopentyl]-[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]methanone;[(1S,3R)-3-hydroxycyclopentyl]-[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]methanone;[(1S,3S)-3-hydroxycyclopentyl]-[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]methanone;[(1R,3S)-3-hydroxycyclopentyl]-[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]methanone;[(2S,3S)-3-hydroxypyrrolidin-2-yl]-[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]methanone.
What is the SMILES notation for cyclopentyl-[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]methanone;[(1S,3R)-3-fluorocyclopentyl]-[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]methanone;[(1S,3R)-3-hydroxycyclopentyl]-[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]methanone;[(1S,3S)-3-hydroxycyclopentyl]-[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]methanone;[(1R,3S)-3-hydroxycyclopentyl]-[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]methanone;[(2S,3S)-3-hydroxypyrrolidin-2-yl]-[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]methanone?
The canonical SMILES for cyclopentyl-[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]methanone;[(1S,3R)-3-fluorocyclopentyl]-[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]methanone;[(1S,3R)-3-hydroxycyclopentyl]-[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]methanone;[(1S,3S)-3-hydroxycyclopentyl]-[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]methanone;[(1R,3S)-3-hydroxycyclopentyl]-[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]methanone;[(2S,3S)-3-hydroxypyrrolidin-2-yl]-[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]methanone is COc1cc(C2CCN(C(=O)C3CCCC3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)[C@@H]3CC[C@H](O)C3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)[C@H]3CC[C@@H](F)C3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)[C@H]3CC[C@@H](O)C3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)[C@H]3CC[C@H](O)C3)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.COc1cc(C2CCN(C(=O)[C@H]3NCC[C@@H]3O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.
What is the InChIKey of cyclopentyl-[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]methanone;[(1S,3R)-3-fluorocyclopentyl]-[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]methanone;[(1S,3R)-3-hydroxycyclopentyl]-[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]methanone;[(1S,3S)-3-hydroxycyclopentyl]-[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]methanone;[(1R,3S)-3-hydroxycyclopentyl]-[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]methanone;[(2S,3S)-3-hydroxypyrrolidin-2-yl]-[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]methanone?
The InChIKey is LKMIIWGEVOQXTM-NBNYVBBOSA-N. The full InChI is InChI=1S/C33H40FN7O4S.3C33H41N7O5S.C33H41N7O4S.C32H40N8O5S/c1-20(2)46(43,44)29-8-6-5-7-26(29)37-33-39-32(38-30-11-14-35-41(30)33)36-27-17-21(3)25(19-28(27)45-4)22-12-15-40(16-13-22)31(42)23-9-10-24(34)18-23;3*1-20(2)46(43,44)29-8-6-5-7-26(29)36-33-38-32(37-30-11-14-34-40(30)33)35-27-17-21(3)25(19-28(27)45-4)22-12-15-39(16-13-22)31(42)23-9-10-24(41)18-23;1-21(2)45(42,43)29-12-8-7-11-26(29)36-33-38-32(37-30-13-16-34-40(30)33)35-27-19-22(3)25(20-28(27)44-4)23-14-17-39(18-15-23)31(41)24-9-5-6-10-24;1-19(2)46(43,44)27-8-6-5-7-23(27)36-32-38-31(37-28-10-14-34-40(28)32)35-24-17-20(3)22(18-26(24)45-4)21-11-15-39(16-12-21)30(42)29-25(41)9-13-33-29/h5-8,11,14,17,19-20,22-24H,9-10,12-13,15-16,18H2,1-4H3,(H2,36,37,38,39);3*5-8,11,14,17,19-20,22-24,41H,9-10,12-13,15-16,18H2,1-4H3,(H2,35,36,37,38);7-8,11-13,16,19-21,23-24H,5-6,9-10,14-15,17-18H2,1-4H3,(H2,35,36,37,38);5-8,10,14,17-19,21,25,29,33,41H,9,11-13,15-16H2,1-4H3,(H2,35,36,37,38)/t3*23-,24+;23-,24-;;25-,29-/m0100.0/s1.
What are the key properties of cyclopentyl-[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]methanone;[(1S,3R)-3-fluorocyclopentyl]-[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]methanone;[(1S,3R)-3-hydroxycyclopentyl]-[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]methanone;[(1S,3S)-3-hydroxycyclopentyl]-[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]methanone;[(1R,3S)-3-hydroxycyclopentyl]-[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]methanone;[(2S,3S)-3-hydroxypyrrolidin-2-yl]-[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]methanone?
cyclopentyl-[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]methanone;[(1S,3R)-3-fluorocyclopentyl]-[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]methanone;[(1S,3R)-3-hydroxycyclopentyl]-[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]methanone;[(1S,3S)-3-hydroxycyclopentyl]-[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]methanone;[(1R,3S)-3-hydroxycyclopentyl]-[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]methanone;[(2S,3S)-3-hydroxypyrrolidin-2-yl]-[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]methanone has a molecular weight of 3873.79 g/mol, XLogP of 30.43, 54 rotatable bonds, 17 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[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]methanone;[(1S,3R)-3-fluorocyclopentyl]-[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]methanone;[(1S,3R)-3-hydroxycyclopentyl]-[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]methanone;[(1S,3S)-3-hydroxycyclopentyl]-[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]methanone;[(1R,3S)-3-hydroxycyclopentyl]-[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]methanone;[(2S,3S)-3-hydroxypyrrolidin-2-yl]-[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]methanone is sourced from PubChem (CID 159377375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).