7-(2-chloro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-cyclopropyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

C117H137ClF4N26O8 — CID 158815476

About 7-(2-chloro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-cyclopropyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

7-(2-chloro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-cyclopropyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (PubChem CID 158815476) has the molecular formula C117H137ClF4N26O8 and a molecular weight of 2147.00 g/mol. Its IUPAC name is 7-(2-chloro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-cyclopropyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R)-3-methyl-4-prop-2-enoylpiperazin-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-(2-chloro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-cyclopropyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
• PubChem CID: 158815476
• Molecular Formula: C117H137ClF4N26O8
• Molecular Weight: 2147.00 g/mol
• Exact Mass: 2145.07
• IUPAC Name: 7-(2-chloro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-cyclopropyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
• SMILES: C=CC(=O)N1CC(Nc2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)cccc2Cl)C3)C1.C=CC(=O)N1CC(Nc2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)cccc2F)C3)C1.C=CC(=O)N1CC(Nc2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C4CC4)ccc4[nH]ncc24)C3)C1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2ccccc2C(F)(F)F)C3)C[C@H]1C
• InChI: InChI=1S/C31H36N8O2.C30H35F3N6O2.C28H33ClN6O2.C28H33FN6O2/c1-3-28(40)39-15-20(16-39)34-29-23-10-12-38(30-22(19-6-7-19)8-9-26-25(30)14-33-36-26)17-27(23)35-31(24(29)13-32)41-18-21-5-4-11-37(21)2;1-4-27(40)39-15-14-38(17-20(39)2)28-22-11-13-37(26-10-6-5-9-24(26)30(31,32)33)18-25(22)35-29(23(28)16-34)41-19-21-8-7-12-36(21)3;2*1-4-25(36)35-14-19(15-35)31-26-21-10-12-34(27-18(2)7-5-9-23(27)29)16-24(21)32-28(22(26)13-30)37-17-20-8-6-11-33(20)3/h3,8-9,14,19-21H,1,4-7,10-12,15-18H2,2H3,(H,33,36)(H,34,35);4-6,9-10,20-21H,1,7-8,11-15,17-19H2,2-3H3;2*4-5,7,9,19-20H,1,6,8,10-12,14-17H2,2-3H3,(H,31,32)/t21-;20-,21+;2*20-/m0100/s1
• InChIKey: IVFDZQRYLQKRJC-IOWHQUKKSA-N
• XLogP: 14.79
• TPSA: 358.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2147.00
LogP ≤ 5	14.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-cyclopropyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R)-3-methyl-4-prop-2-enoylpiperazin-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-(2-chloro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-cyclopropyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (CID 158815476) is 7-(2-chloro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-cyclopropyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R)-3-methyl-4-prop-2-enoylpiperazin-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-(2-chloro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-cyclopropyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R)-3-methyl-4-prop-2-enoylpiperazin-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-(2-chloro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-cyclopropyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is C=CC(=O)N1CC(Nc2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)cccc2Cl)C3)C1.C=CC(=O)N1CC(Nc2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)cccc2F)C3)C1.C=CC(=O)N1CC(Nc2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C4CC4)ccc4[nH]ncc24)C3)C1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2ccccc2C(F)(F)F)C3)C[C@H]1C.

What is the InChIKey of 7-(2-chloro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-cyclopropyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R)-3-methyl-4-prop-2-enoylpiperazin-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 IVFDZQRYLQKRJC-IOWHQUKKSA-N. The full InChI is InChI=1S/C31H36N8O2.C30H35F3N6O2.C28H33ClN6O2.C28H33FN6O2/c1-3-28(40)39-15-20(16-39)34-29-23-10-12-38(30-22(19-6-7-19)8-9-26-25(30)14-33-36-26)17-27(23)35-31(24(29)13-32)41-18-21-5-4-11-37(21)2;1-4-27(40)39-15-14-38(17-20(39)2)28-22-11-13-37(26-10-6-5-9-24(26)30(31,32)33)18-25(22)35-29(23(28)16-34)41-19-21-8-7-12-36(21)3;2*1-4-25(36)35-14-19(15-35)31-26-21-10-12-34(27-18(2)7-5-9-23(27)29)16-24(21)32-28(22(26)13-30)37-17-20-8-6-11-33(20)3/h3,8-9,14,19-21H,1,4-7,10-12,15-18H2,2H3,(H,33,36)(H,34,35);4-6,9-10,20-21H,1,7-8,11-15,17-19H2,2-3H3;2*4-5,7,9,19-20H,1,6,8,10-12,14-17H2,2-3H3,(H,31,32)/t21-;20-,21+;2*20-/m0100/s1.

What are the key properties of 7-(2-chloro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-cyclopropyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?

7-(2-chloro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-cyclopropyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R)-3-methyl-4-prop-2-enoylpiperazin-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 2147.00 g/mol, XLogP of 14.79, 28 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-chloro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-cyclopropyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-methylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[(1-prop-2-enoylazetidin-3-yl)amino]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R)-3-methyl-4-prop-2-enoylpiperazin-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 158815476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).