4-[4-amino-2-[2-(dimethylamino)-3-hydroxypropoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;7-(3-aminoisoquinolin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-amine;4-[4-amino-2-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tris(N,N-diethylprop-2-enamide)

C85H114N18O8 — CID 157290348

About 4-[4-amino-2-[2-(dimethylamino)-3-hydroxypropoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;7-(3-aminoisoquinolin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-amine;4-[4-amino-2-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tris(N,N-diethylprop-2-enamide)

4-[4-amino-2-[2-(dimethylamino)-3-hydroxypropoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;7-(3-aminoisoquinolin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-amine;4-[4-amino-2-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tris(N,N-diethylprop-2-enamide) (PubChem CID 157290348) has the molecular formula C85H114N18O8 and a molecular weight of 1515.96 g/mol. Its IUPAC name is 4-[4-amino-2-[2-(dimethylamino)-3-hydroxypropoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;7-(3-aminoisoquinolin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-amine;4-[4-amino-2-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tris(N,N-diethylprop-2-enamide).

Molecular Properties

• Compound Name: 4-[4-amino-2-[2-(dimethylamino)-3-hydroxypropoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;7-(3-aminoisoquinolin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-amine;4-[4-amino-2-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tris(N,N-diethylprop-2-enamide)
• PubChem CID: 157290348
• Molecular Formula: C85H114N18O8
• Molecular Weight: 1515.96 g/mol
• Exact Mass: 1514.91
• IUPAC Name: 4-[4-amino-2-[2-(dimethylamino)-3-hydroxypropoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;7-(3-aminoisoquinolin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-amine;4-[4-amino-2-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tris(N,N-diethylprop-2-enamide)
• SMILES: C=CC(=O)N(CC)CC.C=CC(=O)N(CC)CC.C=CC(=O)N(CC)CC.CN(C)C(CO)COc1nc(N)c2c(n1)CN(c1cc(O)cc3ccccc13)CC2.C[C@H](CN1CCCCC1)Oc1nc(N)c2c(n1)CN(c1cc(O)cc3ccccc13)CC2.Nc1cc2ccccc2c(N2CCc3c(N)ccnc3C2)n1
• InChI: InChI=1S/C25H31N5O2.C22H27N5O3.C17H17N5.3C7H13NO/c1-17(15-29-10-5-2-6-11-29)32-25-27-22-16-30(12-9-21(22)24(26)28-25)23-14-19(31)13-18-7-3-4-8-20(18)23;1-26(2)15(12-28)13-30-22-24-19-11-27(8-7-18(19)21(23)25-22)20-10-16(29)9-14-5-3-4-6-17(14)20;18-14-5-7-20-15-10-22(8-6-13(14)15)17-12-4-2-1-3-11(12)9-16(19)21-17;3*1-4-7(9)8(5-2)6-3/h3-4,7-8,13-14,17,31H,2,5-6,9-12,15-16H2,1H3,(H2,26,27,28);3-6,9-10,15,28-29H,7-8,11-13H2,1-2H3,(H2,23,24,25);1-5,7,9H,6,8,10H2,(H2,18,20)(H2,19,21);3*4H,1,5-6H2,2-3H3/t17-;;;;;/m1...../s1
• InChIKey: BASNGMLXFNUTMF-BATJUKGTSA-N
• XLogP: 10.99
• TPSA: 337.70 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1515.96
LogP ≤ 5	10.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

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-(dimethylamino)-3-hydroxypropoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;7-(3-aminoisoquinolin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-amine;4-[4-amino-2-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tris(N,N-diethylprop-2-enamide)?

The IUPAC name of 4-[4-amino-2-[2-(dimethylamino)-3-hydroxypropoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;7-(3-aminoisoquinolin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-amine;4-[4-amino-2-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tris(N,N-diethylprop-2-enamide) (CID 157290348) is 4-[4-amino-2-[2-(dimethylamino)-3-hydroxypropoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;7-(3-aminoisoquinolin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-amine;4-[4-amino-2-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tris(N,N-diethylprop-2-enamide).

What is the SMILES notation for 4-[4-amino-2-[2-(dimethylamino)-3-hydroxypropoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;7-(3-aminoisoquinolin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-amine;4-[4-amino-2-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tris(N,N-diethylprop-2-enamide)?

The canonical SMILES for 4-[4-amino-2-[2-(dimethylamino)-3-hydroxypropoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;7-(3-aminoisoquinolin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-amine;4-[4-amino-2-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tris(N,N-diethylprop-2-enamide) is C=CC(=O)N(CC)CC.C=CC(=O)N(CC)CC.C=CC(=O)N(CC)CC.CN(C)C(CO)COc1nc(N)c2c(n1)CN(c1cc(O)cc3ccccc13)CC2.C[C@H](CN1CCCCC1)Oc1nc(N)c2c(n1)CN(c1cc(O)cc3ccccc13)CC2.Nc1cc2ccccc2c(N2CCc3c(N)ccnc3C2)n1.

What is the InChIKey of 4-[4-amino-2-[2-(dimethylamino)-3-hydroxypropoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;7-(3-aminoisoquinolin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-amine;4-[4-amino-2-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tris(N,N-diethylprop-2-enamide)?

The InChIKey is BASNGMLXFNUTMF-BATJUKGTSA-N. The full InChI is InChI=1S/C25H31N5O2.C22H27N5O3.C17H17N5.3C7H13NO/c1-17(15-29-10-5-2-6-11-29)32-25-27-22-16-30(12-9-21(22)24(26)28-25)23-14-19(31)13-18-7-3-4-8-20(18)23;1-26(2)15(12-28)13-30-22-24-19-11-27(8-7-18(19)21(23)25-22)20-10-16(29)9-14-5-3-4-6-17(14)20;18-14-5-7-20-15-10-22(8-6-13(14)15)17-12-4-2-1-3-11(12)9-16(19)21-17;3*1-4-7(9)8(5-2)6-3/h3-4,7-8,13-14,17,31H,2,5-6,9-12,15-16H2,1H3,(H2,26,27,28);3-6,9-10,15,28-29H,7-8,11-13H2,1-2H3,(H2,23,24,25);1-5,7,9H,6,8,10H2,(H2,18,20)(H2,19,21);3*4H,1,5-6H2,2-3H3/t17-;;;;;/m1...../s1.

What are the key properties of 4-[4-amino-2-[2-(dimethylamino)-3-hydroxypropoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;7-(3-aminoisoquinolin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-amine;4-[4-amino-2-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tris(N,N-diethylprop-2-enamide)?

4-[4-amino-2-[2-(dimethylamino)-3-hydroxypropoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;7-(3-aminoisoquinolin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-amine;4-[4-amino-2-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tris(N,N-diethylprop-2-enamide) has a molecular weight of 1515.96 g/mol, XLogP of 10.99, 21 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-2-[2-(dimethylamino)-3-hydroxypropoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;7-(3-aminoisoquinolin-1-yl)-6,8-dihydro-5H-1,7-naphthyridin-4-amine;4-[4-amino-2-[(2R)-1-piperidin-1-ylpropan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol;tris(N,N-diethylprop-2-enamide) is sourced from PubChem (CID 157290348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).