4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[2-[(3S)-3-fluoropiperidin-1-yl]ethoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

C107H123FN22O5 — CID 159293230

About 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[2-[(3S)-3-fluoropiperidin-1-yl]ethoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[2-[(3S)-3-fluoropiperidin-1-yl]ethoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (PubChem CID 159293230) has the molecular formula C107H123FN22O5 and a molecular weight of 1816.31 g/mol. Its IUPAC name is 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[2-[(3S)-3-fluoropiperidin-1-yl]ethoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[2-[(3S)-3-fluoropiperidin-1-yl]ethoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
• PubChem CID: 159293230
• Molecular Formula: C107H123FN22O5
• Molecular Weight: 1816.31 g/mol
• Exact Mass: 1815.00
• IUPAC Name: 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[2-[(3S)-3-fluoropiperidin-1-yl]ethoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
• SMILES: C=CC(=O)N1CCN(c2c(C#N)c(N3CCC(N(C)C)CC3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2c(C#N)c(OCCN3CCC[C@H](F)C3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2c(C#N)c(O[C@H](C)CN(C)CC)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N
• InChI: InChI=1S/C36H40FN7O2.C36H42N8O.C35H41N7O2/c1-3-33(45)44-18-17-43(23-28(44)12-14-38)35-29-13-16-42(32-11-5-9-26-8-4-7-25(2)34(26)32)24-31(29)40-36(30(35)21-39)46-20-19-41-15-6-10-27(37)22-41;1-5-33(45)44-21-20-43(23-28(44)12-16-37)35-29-15-19-42(32-11-7-10-26-9-6-8-25(2)34(26)32)24-31(29)39-36(30(35)22-38)41-17-13-27(14-18-41)40(3)4;1-6-32(43)42-19-18-41(22-27(42)14-16-36)34-28-15-17-40(31-13-9-12-26-11-8-10-24(3)33(26)31)23-30(28)38-35(29(34)20-37)44-25(4)21-39(5)7-2/h3-5,7-9,11,27-28H,1,6,10,12-13,15-20,22-24H2,2H3;5-11,27-28H,1,12-15,17-21,23-24H2,2-4H3;6,8-13,25,27H,1,7,14-15,17-19,21-23H2,2-5H3/t27-,28-;28-;25-,27+/m001/s1
• InChIKey: LAJUAHHOPRUSPQ-KLZPRKINSA-N
• XLogP: 14.35
• TPSA: 293.20 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1816.31
LogP ≤ 5	14.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[2-[(3S)-3-fluoropiperidin-1-yl]ethoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?

The IUPAC name of 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[2-[(3S)-3-fluoropiperidin-1-yl]ethoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (CID 159293230) is 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[2-[(3S)-3-fluoropiperidin-1-yl]ethoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.

What is the SMILES notation for 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[2-[(3S)-3-fluoropiperidin-1-yl]ethoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?

The canonical SMILES for 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[2-[(3S)-3-fluoropiperidin-1-yl]ethoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is C=CC(=O)N1CCN(c2c(C#N)c(N3CCC(N(C)C)CC3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2c(C#N)c(OCCN3CCC[C@H](F)C3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2c(C#N)c(O[C@H](C)CN(C)CC)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.

What is the InChIKey of 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[2-[(3S)-3-fluoropiperidin-1-yl]ethoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?

The InChIKey is LAJUAHHOPRUSPQ-KLZPRKINSA-N. The full InChI is InChI=1S/C36H40FN7O2.C36H42N8O.C35H41N7O2/c1-3-33(45)44-18-17-43(23-28(44)12-14-38)35-29-13-16-42(32-11-5-9-26-8-4-7-25(2)34(26)32)24-31(29)40-36(30(35)21-39)46-20-19-41-15-6-10-27(37)22-41;1-5-33(45)44-21-20-43(23-28(44)12-16-37)35-29-15-19-42(32-11-7-10-26-9-6-8-25(2)34(26)32)24-31(29)39-36(30(35)22-38)41-17-13-27(14-18-41)40(3)4;1-6-32(43)42-19-18-41(22-27(42)14-16-36)34-28-15-17-40(31-13-9-12-26-11-8-10-24(3)33(26)31)23-30(28)38-35(29(34)20-37)44-25(4)21-39(5)7-2/h3-5,7-9,11,27-28H,1,6,10,12-13,15-20,22-24H2,2H3;5-11,27-28H,1,12-15,17-21,23-24H2,2-4H3;6,8-13,25,27H,1,7,14-15,17-19,21-23H2,2-5H3/t27-,28-;28-;25-,27+/m001/s1.

What are the key properties of 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[2-[(3S)-3-fluoropiperidin-1-yl]ethoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?

4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[2-[(3S)-3-fluoropiperidin-1-yl]ethoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 1816.31 g/mol, XLogP of 14.35, 23 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[2-[(3S)-3-fluoropiperidin-1-yl]ethoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 159293230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).