3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-isocyanoethyl)-3-methylpyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one;2-[4-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-3-methylpyrazol-1-yl]acetonitrile

C130H133Cl10N25O16 — CID 158958550

About 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-isocyanoethyl)-3-methylpyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one;2-[4-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-3-methylpyrazol-1-yl]acetonitrile

3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-isocyanoethyl)-3-methylpyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one;2-[4-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-3-methylpyrazol-1-yl]acetonitrile (PubChem CID 158958550) has the molecular formula C130H133Cl10N25O16 and a molecular weight of 2656.18 g/mol. Its IUPAC name is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-isocyanoethyl)-3-methylpyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one;2-[4-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-3-methylpyrazol-1-yl]acetonitrile.

Molecular Properties

• Compound Name: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-isocyanoethyl)-3-methylpyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one;2-[4-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-3-methylpyrazol-1-yl]acetonitrile
• PubChem CID: 158958550
• Molecular Formula: C130H133Cl10N25O16
• Molecular Weight: 2656.18 g/mol
• Exact Mass: 2649.72
• IUPAC Name: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-isocyanoethyl)-3-methylpyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one;2-[4-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-3-methylpyrazol-1-yl]acetonitrile
• SMILES: CCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(-c3cn(C4CCN(C)C4)nc3C)cc21.CCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(-c3cn(CC#N)nc3C)cc21.CCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(-c3cn(CCN(C)C)nc3C)cc21.CCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(-c3cn(CCN4CCOCC4)nc3C)cc21.[C-]#[N+]CCn1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c(=O)n3CC)c(C)n1
• InChI: InChI=1S/C28H31Cl2N5O4.C27H29Cl2N5O3.C26H29Cl2N5O3.C25H23Cl2N5O3.C24H21Cl2N5O3/c1-5-35-22-13-21(20-16-34(32-17(20)2)7-6-33-8-10-39-11-9-33)31-15-18(22)12-19(28(35)36)25-26(29)23(37-3)14-24(38-4)27(25)30;1-6-33-21-10-20(19-14-34(31-15(19)2)17-7-8-32(3)13-17)30-12-16(21)9-18(27(33)35)24-25(28)22(36-4)11-23(37-5)26(24)29;1-7-33-20-11-19(18-14-32(30-15(18)2)9-8-31(3)4)29-13-16(20)10-17(26(33)34)23-24(27)21(35-5)12-22(36-6)25(23)28;1-6-32-19-10-18(17-13-31(8-7-28-3)30-14(17)2)29-12-15(19)9-16(25(32)33)22-23(26)20(34-4)11-21(35-5)24(22)27;1-5-31-18-9-17(16-12-30(7-6-27)29-13(16)2)28-11-14(18)8-15(24(31)32)21-22(25)19(33-3)10-20(34-4)23(21)26/h12-16H,5-11H2,1-4H3;9-12,14,17H,6-8,13H2,1-5H3;10-14H,7-9H2,1-6H3;9-13H,6-8H2,1-2,4-5H3;8-12H,5,7H2,1-4H3
• InChIKey: JMIAWHXWRBGCCV-UHFFFAOYSA-N
• XLogP: 26.11
• TPSA: 402.95 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 35
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2656.18
LogP ≤ 5	26.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-isocyanoethyl)-3-methylpyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one;2-[4-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-3-methylpyrazol-1-yl]acetonitrile?

The IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-isocyanoethyl)-3-methylpyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one;2-[4-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-3-methylpyrazol-1-yl]acetonitrile (CID 158958550) is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-isocyanoethyl)-3-methylpyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one;2-[4-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-3-methylpyrazol-1-yl]acetonitrile.

What is the SMILES notation for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-isocyanoethyl)-3-methylpyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one;2-[4-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-3-methylpyrazol-1-yl]acetonitrile?

The canonical SMILES for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-isocyanoethyl)-3-methylpyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one;2-[4-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-3-methylpyrazol-1-yl]acetonitrile is CCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(-c3cn(C4CCN(C)C4)nc3C)cc21.CCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(-c3cn(CC#N)nc3C)cc21.CCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(-c3cn(CCN(C)C)nc3C)cc21.CCn1c(=O)c(-c2c(Cl)c(OC)cc(OC)c2Cl)cc2cnc(-c3cn(CCN4CCOCC4)nc3C)cc21.[C-]#[N+]CCn1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c(=O)n3CC)c(C)n1.

What is the InChIKey of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-isocyanoethyl)-3-methylpyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one;2-[4-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-3-methylpyrazol-1-yl]acetonitrile?

The InChIKey is JMIAWHXWRBGCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31Cl2N5O4.C27H29Cl2N5O3.C26H29Cl2N5O3.C25H23Cl2N5O3.C24H21Cl2N5O3/c1-5-35-22-13-21(20-16-34(32-17(20)2)7-6-33-8-10-39-11-9-33)31-15-18(22)12-19(28(35)36)25-26(29)23(37-3)14-24(38-4)27(25)30;1-6-33-21-10-20(19-14-34(31-15(19)2)17-7-8-32(3)13-17)30-12-16(21)9-18(27(33)35)24-25(28)22(36-4)11-23(37-5)26(24)29;1-7-33-20-11-19(18-14-32(30-15(18)2)9-8-31(3)4)29-13-16(20)10-17(26(33)34)23-24(27)21(35-5)12-22(36-6)25(23)28;1-6-32-19-10-18(17-13-31(8-7-28-3)30-14(17)2)29-12-15(19)9-16(25(32)33)22-23(26)20(34-4)11-21(35-5)24(22)27;1-5-31-18-9-17(16-12-30(7-6-27)29-13(16)2)28-11-14(18)8-15(24(31)32)21-22(25)19(33-3)10-20(34-4)23(21)26/h12-16H,5-11H2,1-4H3;9-12,14,17H,6-8,13H2,1-5H3;10-14H,7-9H2,1-6H3;9-13H,6-8H2,1-2,4-5H3;8-12H,5,7H2,1-4H3.

What are the key properties of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-isocyanoethyl)-3-methylpyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one;2-[4-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-3-methylpyrazol-1-yl]acetonitrile?

3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-isocyanoethyl)-3-methylpyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one;2-[4-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-3-methylpyrazol-1-yl]acetonitrile has a molecular weight of 2656.18 g/mol, XLogP of 26.11, 35 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]-1-ethyl-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[1-(2-isocyanoethyl)-3-methylpyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-1,6-naphthyridin-2-one;3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-7-[3-methyl-1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,6-naphthyridin-2-one;2-[4-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,6-naphthyridin-7-yl]-3-methylpyrazol-1-yl]acetonitrile is sourced from PubChem (CID 158958550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).