5-[3-amino-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenylmethoxypyrazin-2-amine;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;3-[(2-cyclobutyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[4-ethyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine

C135H161N31O7S4 — CID 161439037

About 5-[3-amino-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenylmethoxypyrazin-2-amine;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;3-[(2-cyclobutyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[4-ethyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine

5-[3-amino-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenylmethoxypyrazin-2-amine;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;3-[(2-cyclobutyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[4-ethyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine (PubChem CID 161439037) has the molecular formula C135H161N31O7S4 and a molecular weight of 2458.25 g/mol. Its IUPAC name is 5-[3-amino-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenylmethoxypyrazin-2-amine;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;3-[(2-cyclobutyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[4-ethyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine.

Molecular Properties

• Compound Name: 5-[3-amino-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenylmethoxypyrazin-2-amine;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;3-[(2-cyclobutyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[4-ethyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine
• PubChem CID: 161439037
• Molecular Formula: C135H161N31O7S4
• Molecular Weight: 2458.25 g/mol
• Exact Mass: 2456.21
• IUPAC Name: 5-[3-amino-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenylmethoxypyrazin-2-amine;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;3-[(2-cyclobutyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[4-ethyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine
• SMILES: CCc1nc(C2CCN(C)CC2)sc1-c1cnc(N)c(OCc2ccccc2)n1.CN1CCC(c2ccc(-c3cnc(N)c(OCc4ccccc4)c3)nc2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4ccnc(C#CC(C)(C)O)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4ccnc(C5CCC5)c4)c3)s2)CC1.CN1CCC(n2cc(-c3cnc(N)c(OCc4ccccc4)n3)c(N)n2)CC1.Cc1nc(C2CCN(C)CC2)sc1-c1cnc(N)c(OCc2ccccc2)n1
• InChI: InChI=1S/C25H29N5O2S.C24H29N5OS.C23H26N4O.C22H27N5OS.C21H25N5OS.C20H25N7O/c1-25(2,31)8-4-20-12-17(5-9-27-20)16-32-21-13-19(14-28-23(21)26)22-15-29-24(33-22)18-6-10-30(3)11-7-18;1-29-9-6-18(7-10-29)24-28-14-22(31-24)19-12-21(23(25)27-13-19)30-15-16-5-8-26-20(11-16)17-3-2-4-17;1-27-11-9-18(10-12-27)19-7-8-21(25-14-19)20-13-22(23(24)26-15-20)28-16-17-5-3-2-4-6-17;1-3-17-19(29-22(26-17)16-9-11-27(2)12-10-16)18-13-24-20(23)21(25-18)28-14-15-7-5-4-6-8-15;1-14-18(28-21(24-14)16-8-10-26(2)11-9-16)17-12-23-19(22)20(25-17)27-13-15-6-4-3-5-7-15;1-26-9-7-15(8-10-26)27-12-16(18(21)25-27)17-11-23-19(22)20(24-17)28-13-14-5-3-2-4-6-14/h5,9,12-15,18,31H,6-7,10-11,16H2,1-3H3,(H2,26,28);5,8,11-14,17-18H,2-4,6-7,9-10,15H2,1H3,(H2,25,27);2-8,13-15,18H,9-12,16H2,1H3,(H2,24,26);4-8,13,16H,3,9-12,14H2,1-2H3,(H2,23,24);3-7,12,16H,8-11,13H2,1-2H3,(H2,22,23);2-6,11-12,15H,7-10,13H2,1H3,(H2,21,25)(H2,22,23)
• InChIKey: VZAINFQVDBXPGK-UHFFFAOYSA-N
• XLogP: 23.01
• TPSA: 501.25 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 32
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2458.25
LogP ≤ 5	23.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenylmethoxypyrazin-2-amine;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;3-[(2-cyclobutyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[4-ethyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine?

The IUPAC name of 5-[3-amino-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenylmethoxypyrazin-2-amine;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;3-[(2-cyclobutyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[4-ethyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine (CID 161439037) is 5-[3-amino-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenylmethoxypyrazin-2-amine;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;3-[(2-cyclobutyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[4-ethyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine.

What is the SMILES notation for 5-[3-amino-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenylmethoxypyrazin-2-amine;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;3-[(2-cyclobutyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[4-ethyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine?

The canonical SMILES for 5-[3-amino-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenylmethoxypyrazin-2-amine;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;3-[(2-cyclobutyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[4-ethyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine is CCc1nc(C2CCN(C)CC2)sc1-c1cnc(N)c(OCc2ccccc2)n1.CN1CCC(c2ccc(-c3cnc(N)c(OCc4ccccc4)c3)nc2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4ccnc(C#CC(C)(C)O)c4)c3)s2)CC1.CN1CCC(c2ncc(-c3cnc(N)c(OCc4ccnc(C5CCC5)c4)c3)s2)CC1.CN1CCC(n2cc(-c3cnc(N)c(OCc4ccccc4)n3)c(N)n2)CC1.Cc1nc(C2CCN(C)CC2)sc1-c1cnc(N)c(OCc2ccccc2)n1.

What is the InChIKey of 5-[3-amino-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenylmethoxypyrazin-2-amine;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;3-[(2-cyclobutyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[4-ethyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine?

The InChIKey is VZAINFQVDBXPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2S.C24H29N5OS.C23H26N4O.C22H27N5OS.C21H25N5OS.C20H25N7O/c1-25(2,31)8-4-20-12-17(5-9-27-20)16-32-21-13-19(14-28-23(21)26)22-15-29-24(33-22)18-6-10-30(3)11-7-18;1-29-9-6-18(7-10-29)24-28-14-22(31-24)19-12-21(23(25)27-13-19)30-15-16-5-8-26-20(11-16)17-3-2-4-17;1-27-11-9-18(10-12-27)19-7-8-21(25-14-19)20-13-22(23(24)26-15-20)28-16-17-5-3-2-4-6-17;1-3-17-19(29-22(26-17)16-9-11-27(2)12-10-16)18-13-24-20(23)21(25-18)28-14-15-7-5-4-6-8-15;1-14-18(28-21(24-14)16-8-10-26(2)11-9-16)17-12-23-19(22)20(25-17)27-13-15-6-4-3-5-7-15;1-26-9-7-15(8-10-26)27-12-16(18(21)25-27)17-11-23-19(22)20(24-17)28-13-14-5-3-2-4-6-14/h5,9,12-15,18,31H,6-7,10-11,16H2,1-3H3,(H2,26,28);5,8,11-14,17-18H,2-4,6-7,9-10,15H2,1H3,(H2,25,27);2-8,13-15,18H,9-12,16H2,1H3,(H2,24,26);4-8,13,16H,3,9-12,14H2,1-2H3,(H2,23,24);3-7,12,16H,8-11,13H2,1-2H3,(H2,22,23);2-6,11-12,15H,7-10,13H2,1H3,(H2,21,25)(H2,22,23).

What are the key properties of 5-[3-amino-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenylmethoxypyrazin-2-amine;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;3-[(2-cyclobutyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[4-ethyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine?

5-[3-amino-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenylmethoxypyrazin-2-amine;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;3-[(2-cyclobutyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[4-ethyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine has a molecular weight of 2458.25 g/mol, XLogP of 23.01, 32 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-amino-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-phenylmethoxypyrazin-2-amine;4-[4-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]-2-pyridinyl]-2-methylbut-3-yn-2-ol;3-[(2-cyclobutyl-4-pyridinyl)methoxy]-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-amine;5-[4-ethyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyrazin-2-amine;5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine is sourced from PubChem (CID 161439037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).