6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)-1,8-naphthyridine-3-carbonitrile;bis(6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2,4,5-trifluoro-6-hydroxy-3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carbonitrile)

C95H75Cl3F16N18O9 — CID 158106925

About 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)-1,8-naphthyridine-3-carbonitrile;bis(6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2,4,5-trifluoro-6-hydroxy-3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carbonitrile)

6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)-1,8-naphthyridine-3-carbonitrile;bis(6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2,4,5-trifluoro-6-hydroxy-3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carbonitrile) (PubChem CID 158106925) has the molecular formula C95H75Cl3F16N18O9 and a molecular weight of 2023.09 g/mol. Its IUPAC name is 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)-1,8-naphthyridine-3-carbonitrile;bis(6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2,4,5-trifluoro-6-hydroxy-3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carbonitrile).

Molecular Properties

• Compound Name: 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)-1,8-naphthyridine-3-carbonitrile;bis(6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2,4,5-trifluoro-6-hydroxy-3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carbonitrile)
• PubChem CID: 158106925
• Molecular Formula: C95H75Cl3F16N18O9
• Molecular Weight: 2023.09 g/mol
• Exact Mass: 2020.48
• IUPAC Name: 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)-1,8-naphthyridine-3-carbonitrile;bis(6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2,4,5-trifluoro-6-hydroxy-3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carbonitrile)
• SMILES: C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)c(F)c(F)c(C(F)(F)F)c4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)c(F)c(F)c(C(F)(F)F)c4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)c(F)c(F)c(F)c4F)c(Cl)cc23)CC1
• InChI: InChI=1S/2C32H25ClF6N6O3.C31H25ClF4N6O3/c2*1-5-19(46)43-8-10-44(11-9-43)28-16-12-18(33)26(20-22(34)21(32(37,38)39)23(35)24(36)29(20)47)42-30(16)45(31(48)17(28)13-40)27-15(4)6-7-41-25(27)14(2)3;1-5-19(43)40-8-10-41(11-9-40)28-16-12-18(32)26(20-21(33)22(34)23(35)24(36)29(20)44)39-30(16)42(31(45)17(28)13-37)27-15(4)6-7-38-25(27)14(2)3/h2*5-7,12,14,47H,1,8-11H2,2-4H3;5-7,12,14,44H,1,8-11H2,2-4H3
• InChIKey: FPYITSHVBUQOQM-UHFFFAOYSA-N
• XLogP: 18.26
• TPSA: 346.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2023.09
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)-1,8-naphthyridine-3-carbonitrile;bis(6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2,4,5-trifluoro-6-hydroxy-3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carbonitrile)?

The IUPAC name of 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)-1,8-naphthyridine-3-carbonitrile;bis(6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2,4,5-trifluoro-6-hydroxy-3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carbonitrile) (CID 158106925) is 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)-1,8-naphthyridine-3-carbonitrile;bis(6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2,4,5-trifluoro-6-hydroxy-3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carbonitrile).

What is the SMILES notation for 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)-1,8-naphthyridine-3-carbonitrile;bis(6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2,4,5-trifluoro-6-hydroxy-3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carbonitrile)?

The canonical SMILES for 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)-1,8-naphthyridine-3-carbonitrile;bis(6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2,4,5-trifluoro-6-hydroxy-3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carbonitrile) is C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)c(F)c(F)c(C(F)(F)F)c4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)c(F)c(F)c(C(F)(F)F)c4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)c(F)c(F)c(F)c4F)c(Cl)cc23)CC1.

What is the InChIKey of 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)-1,8-naphthyridine-3-carbonitrile;bis(6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2,4,5-trifluoro-6-hydroxy-3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carbonitrile)?

The InChIKey is FPYITSHVBUQOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H25ClF6N6O3.C31H25ClF4N6O3/c2*1-5-19(46)43-8-10-44(11-9-43)28-16-12-18(33)26(20-22(34)21(32(37,38)39)23(35)24(36)29(20)47)42-30(16)45(31(48)17(28)13-40)27-15(4)6-7-41-25(27)14(2)3;1-5-19(43)40-8-10-41(11-9-40)28-16-12-18(32)26(20-21(33)22(34)23(35)24(36)29(20)44)39-30(16)42(31(45)17(28)13-37)27-15(4)6-7-38-25(27)14(2)3/h2*5-7,12,14,47H,1,8-11H2,2-4H3;5-7,12,14,44H,1,8-11H2,2-4H3.

What are the key properties of 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)-1,8-naphthyridine-3-carbonitrile;bis(6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2,4,5-trifluoro-6-hydroxy-3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carbonitrile)?

6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)-1,8-naphthyridine-3-carbonitrile;bis(6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2,4,5-trifluoro-6-hydroxy-3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carbonitrile) has a molecular weight of 2023.09 g/mol, XLogP of 18.26, 15 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)-1,8-naphthyridine-3-carbonitrile;bis(6-chloro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-7-[2,4,5-trifluoro-6-hydroxy-3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carbonitrile) is sourced from PubChem (CID 158106925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).