6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one

C174H186ClF2N33O9 — CID 157342681

About 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 157342681) has the molecular formula C174H186ClF2N33O9 and a molecular weight of 2957.07 g/mol. Its IUPAC name is 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 157342681
• Molecular Formula: C174H186ClF2N33O9
• Molecular Weight: 2957.07 g/mol
• Exact Mass: 2954.48
• IUPAC Name: 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCn1c(=O)c(-c2ccc(C3CC3)cc2C)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2C)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CCCN2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2F)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21
• InChI: InChI=1S/C31H37N7O.C30H33N5O.C29H31N5O2.C28H28ClN5O2.C28H29FN6O.C28H28FN5O2/c1-4-38-29-22(20-27(30(38)39)25-8-5-6-9-26(25)28-10-7-15-36(28)3)21-32-31(34-29)33-23-11-13-24(14-12-23)37-18-16-35(2)17-19-37;1-3-35-28-24(17-27(29(35)36)26-11-8-23(16-19(26)2)21-4-5-21)18-32-30(34-28)33-25-9-6-20(7-10-25)22-12-14-31-15-13-22;1-3-34-27-22(15-25(28(34)35)24-11-8-21(14-18(24)2)19-4-5-19)16-31-29(33-27)32-23-9-6-20(7-10-23)26-17-30-12-13-36-26;1-2-34-26-20(13-23(27(34)35)22-10-7-19(14-24(22)29)17-3-4-17)15-31-28(33-26)32-21-8-5-18(6-9-21)25-16-30-11-12-36-25;1-2-35-26-21(12-23(27(35)36)25-24(29)13-20(15-31-25)18-5-6-18)16-32-28(34-26)33-22-9-7-17(8-10-22)19-4-3-11-30-14-19;1-2-34-26-20(13-23(27(34)35)22-10-7-19(14-24(22)29)17-3-4-17)15-31-28(33-26)32-21-8-5-18(6-9-21)25-16-30-11-12-36-25/h5-6,8-9,11-14,20-21,28H,4,7,10,15-19H2,1-3H3,(H,32,33,34);6-11,16-18,21-22,31H,3-5,12-15H2,1-2H3,(H,32,33,34);6-11,14-16,19,26,30H,3-5,12-13,17H2,1-2H3,(H,31,32,33);5-10,13-15,17,25,30H,2-4,11-12,16H2,1H3,(H,31,32,33);7-10,12-13,15-16,18-19,30H,2-6,11,14H2,1H3,(H,32,33,34);5-10,13-15,17,25,30H,2-4,11-12,16H2,1H3,(H,31,32,33)
• InChIKey: BGOVODLKHXEHNB-UHFFFAOYSA-N
• XLogP: 31.10
• TPSA: 469.31 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 42
• Rotatable Bonds: 36
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2957.07
LogP ≤ 5	31.10
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	42

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-cyclopropylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 157342681) is 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(C3CC3)cc2C)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2C)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CC3)cc2F)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccccc2C2CCCN2C)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ncc(C3CC3)cc2F)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21.

What is the InChIKey of 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is BGOVODLKHXEHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N7O.C30H33N5O.C29H31N5O2.C28H28ClN5O2.C28H29FN6O.C28H28FN5O2/c1-4-38-29-22(20-27(30(38)39)25-8-5-6-9-26(25)28-10-7-15-36(28)3)21-32-31(34-29)33-23-11-13-24(14-12-23)37-18-16-35(2)17-19-37;1-3-35-28-24(17-27(29(35)36)26-11-8-23(16-19(26)2)21-4-5-21)18-32-30(34-28)33-25-9-6-20(7-10-25)22-12-14-31-15-13-22;1-3-34-27-22(15-25(28(34)35)24-11-8-21(14-18(24)2)19-4-5-19)16-31-29(33-27)32-23-9-6-20(7-10-23)26-17-30-12-13-36-26;1-2-34-26-20(13-23(27(34)35)22-10-7-19(14-24(22)29)17-3-4-17)15-31-28(33-26)32-21-8-5-18(6-9-21)25-16-30-11-12-36-25;1-2-35-26-21(12-23(27(35)36)25-24(29)13-20(15-31-25)18-5-6-18)16-32-28(34-26)33-22-9-7-17(8-10-22)19-4-3-11-30-14-19;1-2-34-26-20(13-23(27(34)35)22-10-7-19(14-24(22)29)17-3-4-17)15-31-28(33-26)32-21-8-5-18(6-9-21)25-16-30-11-12-36-25/h5-6,8-9,11-14,20-21,28H,4,7,10,15-19H2,1-3H3,(H,32,33,34);6-11,16-18,21-22,31H,3-5,12-15H2,1-2H3,(H,32,33,34);6-11,14-16,19,26,30H,3-5,12-13,17H2,1-2H3,(H,31,32,33);5-10,13-15,17,25,30H,2-4,11-12,16H2,1H3,(H,31,32,33);7-10,12-13,15-16,18-19,30H,2-6,11,14H2,1H3,(H,32,33,34);5-10,13-15,17,25,30H,2-4,11-12,16H2,1H3,(H,31,32,33).

What are the key properties of 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2957.07 g/mol, XLogP of 31.10, 36 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-4-cyclopropylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-methylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157342681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).