4-[4-amino-2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethoxy)phenol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethyl)phenol;4-[4-amino-2-[(1-methylpiperidin-3-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tetrakis(N,N-diethylprop-2-enamide)

C115H158F6N24O13 — CID 158992101

About 4-[4-amino-2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethoxy)phenol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethyl)phenol;4-[4-amino-2-[(1-methylpiperidin-3-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tetrakis(N,N-diethylprop-2-enamide)

4-[4-amino-2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethoxy)phenol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethyl)phenol;4-[4-amino-2-[(1-methylpiperidin-3-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tetrakis(N,N-diethylprop-2-enamide) (PubChem CID 158992101) has the molecular formula C115H158F6N24O13 and a molecular weight of 2198.67 g/mol. Its IUPAC name is 4-[4-amino-2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethoxy)phenol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethyl)phenol;4-[4-amino-2-[(1-methylpiperidin-3-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tetrakis(N,N-diethylprop-2-enamide).

Molecular Properties

• Compound Name: 4-[4-amino-2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethoxy)phenol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethyl)phenol;4-[4-amino-2-[(1-methylpiperidin-3-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tetrakis(N,N-diethylprop-2-enamide)
• PubChem CID: 158992101
• Molecular Formula: C115H158F6N24O13
• Molecular Weight: 2198.67 g/mol
• Exact Mass: 2197.23
• IUPAC Name: 4-[4-amino-2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethoxy)phenol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethyl)phenol;4-[4-amino-2-[(1-methylpiperidin-3-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tetrakis(N,N-diethylprop-2-enamide)
• SMILES: C=CC(=O)N(CC)CC.C=CC(=O)N(CC)CC.C=CC(=O)N(CC)CC.C=CC(=O)N(CC)CC.CN1CCCC(COc2nc(N)c3c(n2)CN(c2cc(O)cc4ccccc24)CC3)C1.C[C@H](CN(C)C)Oc1nc(N)c2c(n1)CN(c1cc(O)ccc1C(F)(F)F)CC2.C[C@H](CN(C)C)Oc1nc(N)c2c(n1)CN(c1cc(O)ccc1OC(F)(F)F)CC2.Nc1nc(OCCN2CC3CCC2C3)nc2c1CCN(c1cc(O)cc3ccccc13)C2
• InChI: InChI=1S/C25H29N5O2.C24H29N5O2.C19H24F3N5O3.C19H24F3N5O2.4C7H13NO/c26-24-21-7-8-30(23-13-19(31)12-17-3-1-2-4-20(17)23)15-22(21)27-25(28-24)32-10-9-29-14-16-5-6-18(29)11-16;1-28-9-4-5-16(13-28)15-31-24-26-21-14-29(10-8-20(21)23(25)27-24)22-12-18(30)11-17-6-2-3-7-19(17)22;1-11(9-26(2)3)29-18-24-14-10-27(7-6-13(14)17(23)25-18)15-8-12(28)4-5-16(15)30-19(20,21)22;1-11(9-26(2)3)29-18-24-15-10-27(7-6-13(15)17(23)25-18)16-8-12(28)4-5-14(16)19(20,21)22;4*1-4-7(9)8(5-2)6-3/h1-4,12-13,16,18,31H,5-11,14-15H2,(H2,26,27,28);2-3,6-7,11-12,16,30H,4-5,8-10,13-15H2,1H3,(H2,25,26,27);4-5,8,11,28H,6-7,9-10H2,1-3H3,(H2,23,24,25);4-5,8,11,28H,6-7,9-10H2,1-3H3,(H2,23,24,25);4*4H,1,5-6H2,2-3H3/t;;2*11-;;;;/m..11..../s1
• InChIKey: JQHCJLGXNVEMND-SXRNRFEESA-N
• XLogP: 15.94
• TPSA: 441.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2198.67
LogP ≤ 5	15.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethoxy)phenol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethyl)phenol;4-[4-amino-2-[(1-methylpiperidin-3-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tetrakis(N,N-diethylprop-2-enamide)?

The IUPAC name of 4-[4-amino-2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethoxy)phenol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethyl)phenol;4-[4-amino-2-[(1-methylpiperidin-3-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tetrakis(N,N-diethylprop-2-enamide) (CID 158992101) is 4-[4-amino-2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethoxy)phenol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethyl)phenol;4-[4-amino-2-[(1-methylpiperidin-3-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tetrakis(N,N-diethylprop-2-enamide).

What is the SMILES notation for 4-[4-amino-2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethoxy)phenol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethyl)phenol;4-[4-amino-2-[(1-methylpiperidin-3-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tetrakis(N,N-diethylprop-2-enamide)?

The canonical SMILES for 4-[4-amino-2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethoxy)phenol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethyl)phenol;4-[4-amino-2-[(1-methylpiperidin-3-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tetrakis(N,N-diethylprop-2-enamide) is C=CC(=O)N(CC)CC.C=CC(=O)N(CC)CC.C=CC(=O)N(CC)CC.C=CC(=O)N(CC)CC.CN1CCCC(COc2nc(N)c3c(n2)CN(c2cc(O)cc4ccccc24)CC3)C1.C[C@H](CN(C)C)Oc1nc(N)c2c(n1)CN(c1cc(O)ccc1C(F)(F)F)CC2.C[C@H](CN(C)C)Oc1nc(N)c2c(n1)CN(c1cc(O)ccc1OC(F)(F)F)CC2.Nc1nc(OCCN2CC3CCC2C3)nc2c1CCN(c1cc(O)cc3ccccc13)C2.

What is the InChIKey of 4-[4-amino-2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethoxy)phenol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethyl)phenol;4-[4-amino-2-[(1-methylpiperidin-3-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tetrakis(N,N-diethylprop-2-enamide)?

The InChIKey is JQHCJLGXNVEMND-SXRNRFEESA-N. The full InChI is InChI=1S/C25H29N5O2.C24H29N5O2.C19H24F3N5O3.C19H24F3N5O2.4C7H13NO/c26-24-21-7-8-30(23-13-19(31)12-17-3-1-2-4-20(17)23)15-22(21)27-25(28-24)32-10-9-29-14-16-5-6-18(29)11-16;1-28-9-4-5-16(13-28)15-31-24-26-21-14-29(10-8-20(21)23(25)27-24)22-12-18(30)11-17-6-2-3-7-19(17)22;1-11(9-26(2)3)29-18-24-14-10-27(7-6-13(14)17(23)25-18)15-8-12(28)4-5-16(15)30-19(20,21)22;1-11(9-26(2)3)29-18-24-15-10-27(7-6-13(15)17(23)25-18)16-8-12(28)4-5-14(16)19(20,21)22;4*1-4-7(9)8(5-2)6-3/h1-4,12-13,16,18,31H,5-11,14-15H2,(H2,26,27,28);2-3,6-7,11-12,16,30H,4-5,8-10,13-15H2,1H3,(H2,25,26,27);4-5,8,11,28H,6-7,9-10H2,1-3H3,(H2,23,24,25);4-5,8,11,28H,6-7,9-10H2,1-3H3,(H2,23,24,25);4*4H,1,5-6H2,2-3H3/t;;2*11-;;;;/m..11..../s1.

What are the key properties of 4-[4-amino-2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethoxy)phenol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethyl)phenol;4-[4-amino-2-[(1-methylpiperidin-3-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tetrakis(N,N-diethylprop-2-enamide)?

4-[4-amino-2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethoxy)phenol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethyl)phenol;4-[4-amino-2-[(1-methylpiperidin-3-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tetrakis(N,N-diethylprop-2-enamide) has a molecular weight of 2198.67 g/mol, XLogP of 15.94, 32 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-2-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethoxy)phenol;3-[4-amino-2-[(2R)-1-(dimethylamino)propan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-(trifluoromethyl)phenol;4-[4-amino-2-[(1-methylpiperidin-3-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tetrakis(N,N-diethylprop-2-enamide) is sourced from PubChem (CID 158992101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).