7-(6,7-difluoronaphthalen-1-yl)-4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-(6-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-isoquinolin-5-yl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

C124H134F9N25O9 — CID 158091705

About 7-(6,7-difluoronaphthalen-1-yl)-4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-(6-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-isoquinolin-5-yl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

7-(6,7-difluoronaphthalen-1-yl)-4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-(6-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-isoquinolin-5-yl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (PubChem CID 158091705) has the molecular formula C124H134F9N25O9 and a molecular weight of 2289.58 g/mol. Its IUPAC name is 7-(6,7-difluoronaphthalen-1-yl)-4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-(6-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-isoquinolin-5-yl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 7-(6,7-difluoronaphthalen-1-yl)-4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-(6-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-isoquinolin-5-yl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
• PubChem CID: 158091705
• Molecular Formula: C124H134F9N25O9
• Molecular Weight: 2289.58 g/mol
• Exact Mass: 2288.07
• IUPAC Name: 7-(6,7-difluoronaphthalen-1-yl)-4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-(6-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-isoquinolin-5-yl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
• SMILES: C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cc(F)c(F)cc24)C3)CC1.C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cc(O)ccc24)C3)CC1.C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cnccc24)C3)CC1.C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2ccccc2C(F)(F)F)C3)CC1
• InChI: InChI=1S/C32H33F3N6O2.C32H35FN6O3.C31H34FN7O2.C29H32F4N6O2/c1-20(33)32(42)40-13-11-39(12-14-40)30-23-8-10-41(29-7-3-5-21-15-26(34)27(35)16-24(21)29)18-28(23)37-31(25(30)17-36)43-19-22-6-4-9-38(22)2;1-21(33)32(41)38-15-13-37(14-16-38)30-26-10-12-39(29-7-3-5-22-17-24(40)8-9-25(22)29)19-28(26)35-31(27(30)18-34)42-20-23-6-4-11-36(23)2;1-21(32)31(40)38-15-13-37(14-16-38)29-25-9-12-39(28-7-3-5-22-18-34-10-8-24(22)28)19-27(25)35-30(26(29)17-33)41-20-23-6-4-11-36(23)2;1-19(30)28(40)38-14-12-37(13-15-38)26-21-9-11-39(25-8-4-3-7-23(25)29(31,32)33)17-24(21)35-27(22(26)16-34)41-18-20-6-5-10-36(20)2/h3,5,7,15-16,22H,1,4,6,8-14,18-19H2,2H3;3,5,7-9,17,23,40H,1,4,6,10-16,19-20H2,2H3;3,5,7-8,10,18,23H,1,4,6,9,11-16,19-20H2,2H3;3-4,7-8,20H,1,5-6,9-15,17-18H2,2H3/t22-;2*23-;20-/m0000/s1
• InChIKey: FOEIIWCJOCWXFD-AEQWWYSVSA-N
• XLogP: 16.34
• TPSA: 336.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2289.58
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(6,7-difluoronaphthalen-1-yl)-4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-(6-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-isoquinolin-5-yl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?

The IUPAC name of 7-(6,7-difluoronaphthalen-1-yl)-4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-(6-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-isoquinolin-5-yl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (CID 158091705) is 7-(6,7-difluoronaphthalen-1-yl)-4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-(6-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-isoquinolin-5-yl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.

What is the SMILES notation for 7-(6,7-difluoronaphthalen-1-yl)-4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-(6-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-isoquinolin-5-yl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?

The canonical SMILES for 7-(6,7-difluoronaphthalen-1-yl)-4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-(6-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-isoquinolin-5-yl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cc(F)c(F)cc24)C3)CC1.C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cc(O)ccc24)C3)CC1.C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cnccc24)C3)CC1.C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2ccccc2C(F)(F)F)C3)CC1.

What is the InChIKey of 7-(6,7-difluoronaphthalen-1-yl)-4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-(6-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-isoquinolin-5-yl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?

The InChIKey is FOEIIWCJOCWXFD-AEQWWYSVSA-N. The full InChI is InChI=1S/C32H33F3N6O2.C32H35FN6O3.C31H34FN7O2.C29H32F4N6O2/c1-20(33)32(42)40-13-11-39(12-14-40)30-23-8-10-41(29-7-3-5-21-15-26(34)27(35)16-24(21)29)18-28(23)37-31(25(30)17-36)43-19-22-6-4-9-38(22)2;1-21(33)32(41)38-15-13-37(14-16-38)30-26-10-12-39(29-7-3-5-22-17-24(40)8-9-25(22)29)19-28(26)35-31(27(30)18-34)42-20-23-6-4-11-36(23)2;1-21(32)31(40)38-15-13-37(14-16-38)29-25-9-12-39(28-7-3-5-22-18-34-10-8-24(22)28)19-27(25)35-30(26(29)17-33)41-20-23-6-4-11-36(23)2;1-19(30)28(40)38-14-12-37(13-15-38)26-21-9-11-39(25-8-4-3-7-23(25)29(31,32)33)17-24(21)35-27(22(26)16-34)41-18-20-6-5-10-36(20)2/h3,5,7,15-16,22H,1,4,6,8-14,18-19H2,2H3;3,5,7-9,17,23,40H,1,4,6,10-16,19-20H2,2H3;3,5,7-8,10,18,23H,1,4,6,9,11-16,19-20H2,2H3;3-4,7-8,20H,1,5-6,9-15,17-18H2,2H3/t22-;2*23-;20-/m0000/s1.

What are the key properties of 7-(6,7-difluoronaphthalen-1-yl)-4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-(6-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-isoquinolin-5-yl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?

7-(6,7-difluoronaphthalen-1-yl)-4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-(6-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-isoquinolin-5-yl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 2289.58 g/mol, XLogP of 16.34, 24 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6,7-difluoronaphthalen-1-yl)-4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-(6-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-7-isoquinolin-5-yl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 158091705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).