4-N-(cyclohexylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(5-ethynylpyrazin-2-yl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-(3-fluorophenyl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-[4-(3-methoxypropoxy)phenyl]pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-[(1-fluorocyclohexyl)methyl]-5-(4-methoxyphenyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-(4-methoxyphenyl)-4-N-[2-(oxan-2-yl)ethyl]pyridine-2,4-diamine

C128H137F2N25O7 — CID 158956686

About 4-N-(cyclohexylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(5-ethynylpyrazin-2-yl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-(3-fluorophenyl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-[4-(3-methoxypropoxy)phenyl]pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-[(1-fluorocyclohexyl)methyl]-5-(4-methoxyphenyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-(4-methoxyphenyl)-4-N-[2-(oxan-2-yl)ethyl]pyridine-2,4-diamine

4-N-(cyclohexylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(5-ethynylpyrazin-2-yl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-(3-fluorophenyl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-[4-(3-methoxypropoxy)phenyl]pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-[(1-fluorocyclohexyl)methyl]-5-(4-methoxyphenyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-(4-methoxyphenyl)-4-N-[2-(oxan-2-yl)ethyl]pyridine-2,4-diamine (PubChem CID 158956686) has the molecular formula C128H137F2N25O7 and a molecular weight of 2175.67 g/mol. Its IUPAC name is 4-N-(cyclohexylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(5-ethynylpyrazin-2-yl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-(3-fluorophenyl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-[4-(3-methoxypropoxy)phenyl]pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-[(1-fluorocyclohexyl)methyl]-5-(4-methoxyphenyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-(4-methoxyphenyl)-4-N-[2-(oxan-2-yl)ethyl]pyridine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(cyclohexylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(5-ethynylpyrazin-2-yl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-(3-fluorophenyl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-[4-(3-methoxypropoxy)phenyl]pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-[(1-fluorocyclohexyl)methyl]-5-(4-methoxyphenyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-(4-methoxyphenyl)-4-N-[2-(oxan-2-yl)ethyl]pyridine-2,4-diamine
• PubChem CID: 158956686
• Molecular Formula: C128H137F2N25O7
• Molecular Weight: 2175.67 g/mol
• Exact Mass: 2174.11
• IUPAC Name: 4-N-(cyclohexylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(5-ethynylpyrazin-2-yl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-(3-fluorophenyl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-[4-(3-methoxypropoxy)phenyl]pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-[(1-fluorocyclohexyl)methyl]-5-(4-methoxyphenyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-(4-methoxyphenyl)-4-N-[2-(oxan-2-yl)ethyl]pyridine-2,4-diamine
• SMILES: C#Cc1cnc(Nc2cc(NCC3(F)CCCCC3)c(-c3ccc(OC)cc3)cn2)cn1.C#Cc1cnc(Nc2cc(NCC3CCCCC3)c(-c3ccc(OCCCOC)cc3)cn2)cn1.C#Cc1cnc(Nc2cc(NCC3CCCCC3)c(-c3ccc4c(c3)OCCO4)cn2)cn1.C#Cc1cnc(Nc2cc(NCC3CCCCC3)c(-c3cccc(F)c3)cn2)cn1.C#Cc1cnc(Nc2cc(NCCC3CCCCO3)c(-c3ccc(OC)cc3)cn2)cn1
• InChI: InChI=1S/C28H33N5O2.C26H27N5O2.C25H26FN5O.C25H27N5O2.C24H24FN5/c1-3-23-18-31-28(20-29-23)33-27-16-26(30-17-21-8-5-4-6-9-21)25(19-32-27)22-10-12-24(13-11-22)35-15-7-14-34-2;1-2-20-15-29-26(17-27-20)31-25-13-22(28-14-18-6-4-3-5-7-18)21(16-30-25)19-8-9-23-24(12-19)33-11-10-32-23;1-3-19-14-28-24(16-27-19)31-23-13-22(30-17-25(26)11-5-4-6-12-25)21(15-29-23)18-7-9-20(32-2)10-8-18;1-3-19-15-28-25(17-27-19)30-24-14-23(26-12-11-21-6-4-5-13-32-21)22(16-29-24)18-7-9-20(31-2)10-8-18;1-2-20-14-28-24(16-26-20)30-23-12-22(27-13-17-7-4-3-5-8-17)21(15-29-23)18-9-6-10-19(25)11-18/h1,10-13,16,18-21H,4-9,14-15,17H2,2H3,(H2,30,31,32,33);1,8-9,12-13,15-18H,3-7,10-11,14H2,(H2,28,29,30,31);1,7-10,13-16H,4-6,11-12,17H2,2H3,(H2,28,29,30,31);1,7-10,14-17,21H,4-6,11-13H2,2H3,(H2,26,28,29,30);1,6,9-12,14-17H,3-5,7-8,13H2,(H2,27,28,29,30)
• InChIKey: JMBZIHOKCCCMEW-UHFFFAOYSA-N
• XLogP: 26.09
• TPSA: 378.26 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 38
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2175.67
LogP ≤ 5	26.09
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(5-ethynylpyrazin-2-yl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-(3-fluorophenyl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-[4-(3-methoxypropoxy)phenyl]pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-[(1-fluorocyclohexyl)methyl]-5-(4-methoxyphenyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-(4-methoxyphenyl)-4-N-[2-(oxan-2-yl)ethyl]pyridine-2,4-diamine?

The IUPAC name of 4-N-(cyclohexylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(5-ethynylpyrazin-2-yl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-(3-fluorophenyl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-[4-(3-methoxypropoxy)phenyl]pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-[(1-fluorocyclohexyl)methyl]-5-(4-methoxyphenyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-(4-methoxyphenyl)-4-N-[2-(oxan-2-yl)ethyl]pyridine-2,4-diamine (CID 158956686) is 4-N-(cyclohexylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(5-ethynylpyrazin-2-yl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-(3-fluorophenyl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-[4-(3-methoxypropoxy)phenyl]pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-[(1-fluorocyclohexyl)methyl]-5-(4-methoxyphenyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-(4-methoxyphenyl)-4-N-[2-(oxan-2-yl)ethyl]pyridine-2,4-diamine.

What is the SMILES notation for 4-N-(cyclohexylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(5-ethynylpyrazin-2-yl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-(3-fluorophenyl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-[4-(3-methoxypropoxy)phenyl]pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-[(1-fluorocyclohexyl)methyl]-5-(4-methoxyphenyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-(4-methoxyphenyl)-4-N-[2-(oxan-2-yl)ethyl]pyridine-2,4-diamine?

The canonical SMILES for 4-N-(cyclohexylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(5-ethynylpyrazin-2-yl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-(3-fluorophenyl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-[4-(3-methoxypropoxy)phenyl]pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-[(1-fluorocyclohexyl)methyl]-5-(4-methoxyphenyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-(4-methoxyphenyl)-4-N-[2-(oxan-2-yl)ethyl]pyridine-2,4-diamine is C#Cc1cnc(Nc2cc(NCC3(F)CCCCC3)c(-c3ccc(OC)cc3)cn2)cn1.C#Cc1cnc(Nc2cc(NCC3CCCCC3)c(-c3ccc(OCCCOC)cc3)cn2)cn1.C#Cc1cnc(Nc2cc(NCC3CCCCC3)c(-c3ccc4c(c3)OCCO4)cn2)cn1.C#Cc1cnc(Nc2cc(NCC3CCCCC3)c(-c3cccc(F)c3)cn2)cn1.C#Cc1cnc(Nc2cc(NCCC3CCCCO3)c(-c3ccc(OC)cc3)cn2)cn1.

What is the InChIKey of 4-N-(cyclohexylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(5-ethynylpyrazin-2-yl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-(3-fluorophenyl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-[4-(3-methoxypropoxy)phenyl]pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-[(1-fluorocyclohexyl)methyl]-5-(4-methoxyphenyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-(4-methoxyphenyl)-4-N-[2-(oxan-2-yl)ethyl]pyridine-2,4-diamine?

The InChIKey is JMBZIHOKCCCMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2.C26H27N5O2.C25H26FN5O.C25H27N5O2.C24H24FN5/c1-3-23-18-31-28(20-29-23)33-27-16-26(30-17-21-8-5-4-6-9-21)25(19-32-27)22-10-12-24(13-11-22)35-15-7-14-34-2;1-2-20-15-29-26(17-27-20)31-25-13-22(28-14-18-6-4-3-5-7-18)21(16-30-25)19-8-9-23-24(12-19)33-11-10-32-23;1-3-19-14-28-24(16-27-19)31-23-13-22(30-17-25(26)11-5-4-6-12-25)21(15-29-23)18-7-9-20(32-2)10-8-18;1-3-19-15-28-25(17-27-19)30-24-14-23(26-12-11-21-6-4-5-13-32-21)22(16-29-24)18-7-9-20(31-2)10-8-18;1-2-20-14-28-24(16-26-20)30-23-12-22(27-13-17-7-4-3-5-8-17)21(15-29-23)18-9-6-10-19(25)11-18/h1,10-13,16,18-21H,4-9,14-15,17H2,2H3,(H2,30,31,32,33);1,8-9,12-13,15-18H,3-7,10-11,14H2,(H2,28,29,30,31);1,7-10,13-16H,4-6,11-12,17H2,2H3,(H2,28,29,30,31);1,7-10,14-17,21H,4-6,11-13H2,2H3,(H2,26,28,29,30);1,6,9-12,14-17H,3-5,7-8,13H2,(H2,27,28,29,30).

What are the key properties of 4-N-(cyclohexylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(5-ethynylpyrazin-2-yl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-(3-fluorophenyl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-[4-(3-methoxypropoxy)phenyl]pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-[(1-fluorocyclohexyl)methyl]-5-(4-methoxyphenyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-(4-methoxyphenyl)-4-N-[2-(oxan-2-yl)ethyl]pyridine-2,4-diamine?

4-N-(cyclohexylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(5-ethynylpyrazin-2-yl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-(3-fluorophenyl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-[4-(3-methoxypropoxy)phenyl]pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-[(1-fluorocyclohexyl)methyl]-5-(4-methoxyphenyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-(4-methoxyphenyl)-4-N-[2-(oxan-2-yl)ethyl]pyridine-2,4-diamine has a molecular weight of 2175.67 g/mol, XLogP of 26.09, 38 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(cyclohexylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(5-ethynylpyrazin-2-yl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-(3-fluorophenyl)pyridine-2,4-diamine;4-N-(cyclohexylmethyl)-2-N-(5-ethynylpyrazin-2-yl)-5-[4-(3-methoxypropoxy)phenyl]pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-[(1-fluorocyclohexyl)methyl]-5-(4-methoxyphenyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-(4-methoxyphenyl)-4-N-[2-(oxan-2-yl)ethyl]pyridine-2,4-diamine is sourced from PubChem (CID 158956686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).