(2S)-2-amino-3-methoxy-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]propan-1-one;2-(azetidin-1-yl)-1-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;(2S)-2-[2-hydroxyethyl(methyl)amino]-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]propan-1-one;3-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]propanamide

C122H154N32O16S4 — CID 159781100

About (2S)-2-amino-3-methoxy-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]propan-1-one;2-(azetidin-1-yl)-1-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;(2S)-2-[2-hydroxyethyl(methyl)amino]-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]propan-1-one;3-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]propanamide

(2S)-2-amino-3-methoxy-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]propan-1-one;2-(azetidin-1-yl)-1-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;(2S)-2-[2-hydroxyethyl(methyl)amino]-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]propan-1-one;3-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]propanamide (PubChem CID 159781100) has the molecular formula C122H154N32O16S4 and a molecular weight of 2453.05 g/mol. Its IUPAC name is (2S)-2-amino-3-methoxy-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]propan-1-one;2-(azetidin-1-yl)-1-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;(2S)-2-[2-hydroxyethyl(methyl)amino]-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]propan-1-one;3-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-amino-3-methoxy-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]propan-1-one;2-(azetidin-1-yl)-1-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;(2S)-2-[2-hydroxyethyl(methyl)amino]-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]propan-1-one;3-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]propanamide
• PubChem CID: 159781100
• Molecular Formula: C122H154N32O16S4
• Molecular Weight: 2453.05 g/mol
• Exact Mass: 2451.11
• IUPAC Name: (2S)-2-amino-3-methoxy-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]propan-1-one;2-(azetidin-1-yl)-1-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;(2S)-2-[2-hydroxyethyl(methyl)amino]-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]propan-1-one;3-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]propanamide
• SMILES: CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C3CCN(C(=O)CN4CCC4)CC3)cc2)nc2ccnn12.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C3CCN(CCC(N)=O)CC3)cc2)nc2ccnn12.COC[C@H](N)C(=O)N1CCC(c2cc(OC)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)n4nccc4n3)cc2C)CC1.COc1cc(C2CCN(C(=O)[C@H](C)N(C)CCO)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1
• InChI: InChI=1S/C33H44N8O5S.C31H40N8O5S.C30H36N8O3S.C28H34N8O3S/c1-21(2)47(44,45)29-10-8-7-9-26(29)36-33-38-32(37-30-11-14-34-41(30)33)35-27-19-22(3)25(20-28(27)46-6)24-12-15-40(16-13-24)31(43)23(4)39(5)17-18-42;1-19(2)45(41,42)27-9-7-6-8-24(27)35-31-37-30(36-28-10-13-33-39(28)31)34-25-16-20(3)22(17-26(25)44-5)21-11-14-38(15-12-21)29(40)23(32)18-43-4;1-21(2)42(40,41)26-7-4-3-6-25(26)33-30-35-29(34-27-12-15-31-38(27)30)32-24-10-8-22(9-11-24)23-13-18-37(19-14-23)28(39)20-36-16-5-17-36;1-19(2)40(38,39)24-6-4-3-5-23(24)32-28-34-27(33-26-11-15-30-36(26)28)31-22-9-7-20(8-10-22)21-12-16-35(17-13-21)18-14-25(29)37/h7-11,14,19-21,23-24,42H,12-13,15-18H2,1-6H3,(H2,35,36,37,38);6-10,13,16-17,19,21,23H,11-12,14-15,18,32H2,1-5H3,(H2,34,35,36,37);3-4,6-12,15,21,23H,5,13-14,16-20H2,1-2H3,(H2,32,33,34,35);3-11,15,19,21H,12-14,16-18H2,1-2H3,(H2,29,37)(H2,31,32,33,34)/t2*23-;;/m00../s1
• InChIKey: NHJGWZZYIWNDFY-SHTLUSFCSA-N
• XLogP: 15.97
• TPSA: 592.80 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 44
• Rotatable Bonds: 42
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2453.05
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methoxy-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]propan-1-one;2-(azetidin-1-yl)-1-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;(2S)-2-[2-hydroxyethyl(methyl)amino]-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]propan-1-one;3-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]propanamide?

The IUPAC name of (2S)-2-amino-3-methoxy-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]propan-1-one;2-(azetidin-1-yl)-1-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;(2S)-2-[2-hydroxyethyl(methyl)amino]-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]propan-1-one;3-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]propanamide (CID 159781100) is (2S)-2-amino-3-methoxy-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]propan-1-one;2-(azetidin-1-yl)-1-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;(2S)-2-[2-hydroxyethyl(methyl)amino]-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]propan-1-one;3-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]propanamide.

What is the SMILES notation for (2S)-2-amino-3-methoxy-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]propan-1-one;2-(azetidin-1-yl)-1-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;(2S)-2-[2-hydroxyethyl(methyl)amino]-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]propan-1-one;3-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]propanamide?

The canonical SMILES for (2S)-2-amino-3-methoxy-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]propan-1-one;2-(azetidin-1-yl)-1-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;(2S)-2-[2-hydroxyethyl(methyl)amino]-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]propan-1-one;3-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]propanamide is CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C3CCN(C(=O)CN4CCC4)CC3)cc2)nc2ccnn12.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C3CCN(CCC(N)=O)CC3)cc2)nc2ccnn12.COC[C@H](N)C(=O)N1CCC(c2cc(OC)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)n4nccc4n3)cc2C)CC1.COc1cc(C2CCN(C(=O)[C@H](C)N(C)CCO)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)n2nccc2n1.

What is the InChIKey of (2S)-2-amino-3-methoxy-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]propan-1-one;2-(azetidin-1-yl)-1-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;(2S)-2-[2-hydroxyethyl(methyl)amino]-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]propan-1-one;3-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]propanamide?

The InChIKey is NHJGWZZYIWNDFY-SHTLUSFCSA-N. The full InChI is InChI=1S/C33H44N8O5S.C31H40N8O5S.C30H36N8O3S.C28H34N8O3S/c1-21(2)47(44,45)29-10-8-7-9-26(29)36-33-38-32(37-30-11-14-34-41(30)33)35-27-19-22(3)25(20-28(27)46-6)24-12-15-40(16-13-24)31(43)23(4)39(5)17-18-42;1-19(2)45(41,42)27-9-7-6-8-24(27)35-31-37-30(36-28-10-13-33-39(28)31)34-25-16-20(3)22(17-26(25)44-5)21-11-14-38(15-12-21)29(40)23(32)18-43-4;1-21(2)42(40,41)26-7-4-3-6-25(26)33-30-35-29(34-27-12-15-31-38(27)30)32-24-10-8-22(9-11-24)23-13-18-37(19-14-23)28(39)20-36-16-5-17-36;1-19(2)40(38,39)24-6-4-3-5-23(24)32-28-34-27(33-26-11-15-30-36(26)28)31-22-9-7-20(8-10-22)21-12-16-35(17-13-21)18-14-25(29)37/h7-11,14,19-21,23-24,42H,12-13,15-18H2,1-6H3,(H2,35,36,37,38);6-10,13,16-17,19,21,23H,11-12,14-15,18,32H2,1-5H3,(H2,34,35,36,37);3-4,6-12,15,21,23H,5,13-14,16-20H2,1-2H3,(H2,32,33,34,35);3-11,15,19,21H,12-14,16-18H2,1-2H3,(H2,29,37)(H2,31,32,33,34)/t2*23-;;/m00../s1.

What are the key properties of (2S)-2-amino-3-methoxy-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]propan-1-one;2-(azetidin-1-yl)-1-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;(2S)-2-[2-hydroxyethyl(methyl)amino]-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]propan-1-one;3-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]propanamide?

(2S)-2-amino-3-methoxy-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]propan-1-one;2-(azetidin-1-yl)-1-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;(2S)-2-[2-hydroxyethyl(methyl)amino]-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]propan-1-one;3-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]propanamide has a molecular weight of 2453.05 g/mol, XLogP of 15.97, 42 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-3-methoxy-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]propan-1-one;2-(azetidin-1-yl)-1-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]ethanone;(2S)-2-[2-hydroxyethyl(methyl)amino]-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]propan-1-one;3-[4-[4-[[4-(2-propan-2-ylsulfonylanilino)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]phenyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 159781100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).