2-(butylamino)-6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(dimethylamino)ethylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[6-(2-chloro-4-pyridin-3-ylphenyl)-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[2-(dimethylamino)-1-phenylethyl]acetamide

C128H127Cl5N28O7 — CID 160719171

About 2-(butylamino)-6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(dimethylamino)ethylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[6-(2-chloro-4-pyridin-3-ylphenyl)-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[2-(dimethylamino)-1-phenylethyl]acetamide

2-(butylamino)-6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(dimethylamino)ethylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[6-(2-chloro-4-pyridin-3-ylphenyl)-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[2-(dimethylamino)-1-phenylethyl]acetamide (PubChem CID 160719171) has the molecular formula C128H127Cl5N28O7 and a molecular weight of 2346.88 g/mol. Its IUPAC name is 2-(butylamino)-6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(dimethylamino)ethylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[6-(2-chloro-4-pyridin-3-ylphenyl)-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[2-(dimethylamino)-1-phenylethyl]acetamide.

Molecular Properties

• Compound Name: 2-(butylamino)-6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(dimethylamino)ethylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[6-(2-chloro-4-pyridin-3-ylphenyl)-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[2-(dimethylamino)-1-phenylethyl]acetamide
• PubChem CID: 160719171
• Molecular Formula: C128H127Cl5N28O7
• Molecular Weight: 2346.88 g/mol
• Exact Mass: 2342.89
• IUPAC Name: 2-(butylamino)-6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(dimethylamino)ethylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[6-(2-chloro-4-pyridin-3-ylphenyl)-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[2-(dimethylamino)-1-phenylethyl]acetamide
• SMILES: CCCCNc1ncc2cc(-c3ccc(-c4cccnc4)cc3Cl)c(=O)n(CC)c2n1.CCNc1ncc2cc(-c3ccc(-c4cccnc4)cc3Cl)c(=O)n(CC)c2n1.CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2Cl)cc2cnc(NC(C)C)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2Cl)cc2cnc(NCCN(C)C)nc21.CN(C)CC(NC(=O)Cn1c(=O)c(-c2ccc(-c3cccnc3)cc2Cl)cc2cnc(NC3CCOCC3)nc21)c1ccccc1
• InChI: InChI=1S/C35H36ClN7O3.C24H25ClN6O.C24H24ClN5O.C23H22ClN5O.C22H20ClN5O/c1-42(2)21-31(23-7-4-3-5-8-23)40-32(44)22-43-33-26(20-38-35(41-33)39-27-12-15-46-16-13-27)17-29(34(43)45)28-11-10-24(18-30(28)36)25-9-6-14-37-19-25;1-4-31-22-18(15-28-24(29-22)27-10-11-30(2)3)12-20(23(31)32)19-8-7-16(13-21(19)25)17-6-5-9-26-14-17;1-3-5-11-27-24-28-15-18-12-20(23(31)30(4-2)22(18)29-24)19-9-8-16(13-21(19)25)17-7-6-10-26-14-17;1-4-29-21-17(13-26-23(28-21)27-14(2)3)10-19(22(29)30)18-8-7-15(11-20(18)24)16-6-5-9-25-12-16;1-3-25-22-26-13-16-10-18(21(29)28(4-2)20(16)27-22)17-8-7-14(11-19(17)23)15-6-5-9-24-12-15/h3-11,14,17-20,27,31H,12-13,15-16,21-22H2,1-2H3,(H,40,44)(H,38,39,41);5-9,12-15H,4,10-11H2,1-3H3,(H,27,28,29);6-10,12-15H,3-5,11H2,1-2H3,(H,27,28,29);5-14H,4H2,1-3H3,(H,26,27,28);5-13H,3-4H2,1-2H3,(H,25,26,27)
• InChIKey: RSWJEWWZISZPFG-UHFFFAOYSA-N
• XLogP: 24.40
• TPSA: 408.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 34
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2346.88
LogP ≤ 5	24.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(dimethylamino)ethylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[6-(2-chloro-4-pyridin-3-ylphenyl)-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[2-(dimethylamino)-1-phenylethyl]acetamide?

The IUPAC name of 2-(butylamino)-6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(dimethylamino)ethylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[6-(2-chloro-4-pyridin-3-ylphenyl)-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[2-(dimethylamino)-1-phenylethyl]acetamide (CID 160719171) is 2-(butylamino)-6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(dimethylamino)ethylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[6-(2-chloro-4-pyridin-3-ylphenyl)-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[2-(dimethylamino)-1-phenylethyl]acetamide.

What is the SMILES notation for 2-(butylamino)-6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(dimethylamino)ethylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[6-(2-chloro-4-pyridin-3-ylphenyl)-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[2-(dimethylamino)-1-phenylethyl]acetamide?

The canonical SMILES for 2-(butylamino)-6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(dimethylamino)ethylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[6-(2-chloro-4-pyridin-3-ylphenyl)-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[2-(dimethylamino)-1-phenylethyl]acetamide is CCCCNc1ncc2cc(-c3ccc(-c4cccnc4)cc3Cl)c(=O)n(CC)c2n1.CCNc1ncc2cc(-c3ccc(-c4cccnc4)cc3Cl)c(=O)n(CC)c2n1.CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2Cl)cc2cnc(NC(C)C)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2Cl)cc2cnc(NCCN(C)C)nc21.CN(C)CC(NC(=O)Cn1c(=O)c(-c2ccc(-c3cccnc3)cc2Cl)cc2cnc(NC3CCOCC3)nc21)c1ccccc1.

What is the InChIKey of 2-(butylamino)-6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(dimethylamino)ethylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[6-(2-chloro-4-pyridin-3-ylphenyl)-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[2-(dimethylamino)-1-phenylethyl]acetamide?

The InChIKey is RSWJEWWZISZPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36ClN7O3.C24H25ClN6O.C24H24ClN5O.C23H22ClN5O.C22H20ClN5O/c1-42(2)21-31(23-7-4-3-5-8-23)40-32(44)22-43-33-26(20-38-35(41-33)39-27-12-15-46-16-13-27)17-29(34(43)45)28-11-10-24(18-30(28)36)25-9-6-14-37-19-25;1-4-31-22-18(15-28-24(29-22)27-10-11-30(2)3)12-20(23(31)32)19-8-7-16(13-21(19)25)17-6-5-9-26-14-17;1-3-5-11-27-24-28-15-18-12-20(23(31)30(4-2)22(18)29-24)19-9-8-16(13-21(19)25)17-7-6-10-26-14-17;1-4-29-21-17(13-26-23(28-21)27-14(2)3)10-19(22(29)30)18-8-7-15(11-20(18)24)16-6-5-9-25-12-16;1-3-25-22-26-13-16-10-18(21(29)28(4-2)20(16)27-22)17-8-7-14(11-19(17)23)15-6-5-9-24-12-15/h3-11,14,17-20,27,31H,12-13,15-16,21-22H2,1-2H3,(H,40,44)(H,38,39,41);5-9,12-15H,4,10-11H2,1-3H3,(H,27,28,29);6-10,12-15H,3-5,11H2,1-2H3,(H,27,28,29);5-14H,4H2,1-3H3,(H,26,27,28);5-13H,3-4H2,1-2H3,(H,25,26,27).

What are the key properties of 2-(butylamino)-6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(dimethylamino)ethylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[6-(2-chloro-4-pyridin-3-ylphenyl)-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[2-(dimethylamino)-1-phenylethyl]acetamide?

2-(butylamino)-6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(dimethylamino)ethylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[6-(2-chloro-4-pyridin-3-ylphenyl)-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[2-(dimethylamino)-1-phenylethyl]acetamide has a molecular weight of 2346.88 g/mol, XLogP of 24.40, 34 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(butylamino)-6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(dimethylamino)ethylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;2-[6-(2-chloro-4-pyridin-3-ylphenyl)-2-(oxan-4-ylamino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]-N-[2-(dimethylamino)-1-phenylethyl]acetamide is sourced from PubChem (CID 160719171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).