6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one)

C151H148Cl5N33O6 — CID 159235116

About 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one)

6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one) (PubChem CID 159235116) has the molecular formula C151H148Cl5N33O6 and a molecular weight of 2698.33 g/mol. Its IUPAC name is 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one).

Molecular Properties

• Compound Name: 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one)
• PubChem CID: 159235116
• Molecular Formula: C151H148Cl5N33O6
• Molecular Weight: 2698.33 g/mol
• Exact Mass: 2694.07
• IUPAC Name: 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one)
• SMILES: CCn1c(=O)c(-c2ccc(-c3ccc[nH]3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cnco3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=CCC=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=CN=CC3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=CN=CC3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21
• InChI: InChI=1S/C32H32ClN7O.C30H30ClN7O.2C30H29ClN6O.C29H28ClN7O2/c1-2-40-30-22(18-27(31(40)41)26-12-5-21(19-28(26)33)29-4-3-13-34-29)20-35-32(37-30)36-23-6-8-24(9-7-23)38-14-16-39(17-15-38)25-10-11-25;1-3-38-28-21(17-25(29(38)39)24-11-6-20(18-26(24)31)27-5-4-12-32-27)19-33-30(35-28)34-22-7-9-23(10-8-22)37-15-13-36(2)14-16-37;2*1-2-37-28-23(15-26(29(37)38)25-8-5-21(16-27(25)31)22-11-14-33-17-22)18-34-30(36-28)35-24-6-3-19(4-7-24)20-9-12-32-13-10-20;1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,12-13,18-20,25H,2-3,10-11,14-17H2,1H3,(H,35,36,37);4-12,17-19,32H,3,13-16H2,1-2H3,(H,33,34,35);2*3-8,14-18,20,32H,2,9-13H2,1H3,(H,34,35,36);4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34)
• InChIKey: KTJIPBJWYGEKEV-UHFFFAOYSA-N
• XLogP: 29.20
• TPSA: 421.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2698.33
LogP ≤ 5	29.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one)?

The IUPAC name of 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one) (CID 159235116) is 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one).

What is the SMILES notation for 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one)?

The canonical SMILES for 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one) is CCn1c(=O)c(-c2ccc(-c3ccc[nH]3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cnco3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=CCC=N3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C5CC5)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=CN=CC3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3=CN=CC3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.

What is the InChIKey of 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one)?

The InChIKey is KTJIPBJWYGEKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClN7O.C30H30ClN7O.2C30H29ClN6O.C29H28ClN7O2/c1-2-40-30-22(18-27(31(40)41)26-12-5-21(19-28(26)33)29-4-3-13-34-29)20-35-32(37-30)36-23-6-8-24(9-7-23)38-14-16-39(17-15-38)25-10-11-25;1-3-38-28-21(17-25(29(38)39)24-11-6-20(18-26(24)31)27-5-4-12-32-27)19-33-30(35-28)34-22-7-9-23(10-8-22)37-15-13-36(2)14-16-37;2*1-2-37-28-23(15-26(29(37)38)25-8-5-21(16-27(25)31)22-11-14-33-17-22)18-34-30(36-28)35-24-6-3-19(4-7-24)20-9-12-32-13-10-20;1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,12-13,18-20,25H,2-3,10-11,14-17H2,1H3,(H,35,36,37);4-12,17-19,32H,3,13-16H2,1-2H3,(H,33,34,35);2*3-8,14-18,20,32H,2,9-13H2,1H3,(H,34,35,36);4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34).

What are the key properties of 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one)?

6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one) has a molecular weight of 2698.33 g/mol, XLogP of 29.20, 31 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-4-(1,3-oxazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3H-pyrrol-5-yl)phenyl]-2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-pyrrol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;bis(6-[2-chloro-4-(3H-pyrrol-4-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one) is sourced from PubChem (CID 159235116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).