2-(3-chloro-4-piperazin-1-ylanilino)-8-(cyclopropylmethyl)-6-[5-(1-methylpyrrol-3-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-(1-methylimidazol-2-yl)phenyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C124H135ClF2N34O6S2 — CID 159264092

About 2-(3-chloro-4-piperazin-1-ylanilino)-8-(cyclopropylmethyl)-6-[5-(1-methylpyrrol-3-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-(1-methylimidazol-2-yl)phenyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

2-(3-chloro-4-piperazin-1-ylanilino)-8-(cyclopropylmethyl)-6-[5-(1-methylpyrrol-3-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-(1-methylimidazol-2-yl)phenyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159264092) has the molecular formula C124H135ClF2N34O6S2 and a molecular weight of 2335.26 g/mol. Its IUPAC name is 2-(3-chloro-4-piperazin-1-ylanilino)-8-(cyclopropylmethyl)-6-[5-(1-methylpyrrol-3-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-(1-methylimidazol-2-yl)phenyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-(3-chloro-4-piperazin-1-ylanilino)-8-(cyclopropylmethyl)-6-[5-(1-methylpyrrol-3-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-(1-methylimidazol-2-yl)phenyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159264092
• Molecular Formula: C124H135ClF2N34O6S2
• Molecular Weight: 2335.26 g/mol
• Exact Mass: 2333.04
• IUPAC Name: 2-(3-chloro-4-piperazin-1-ylanilino)-8-(cyclopropylmethyl)-6-[5-(1-methylpyrrol-3-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-(1-methylimidazol-2-yl)phenyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C.CC1CNCCN1c1ccc(Nc2ncc3cc(-c4ccc(-c5nccn5C)cc4)c(=O)n(C(C)C)c3n2)cc1F.CCn1c(=O)c(-c2ccccc2-c2cncn2C)cc2cnc(Nc3ccc(N4CCNC(C)C4)c(F)c3)nc21.CN1CCSC(c2ccc(Nc3ncc4cc(-c5nccn5-c5ccnn5C)c(=O)n(C5CCN(S(C)(=O)=O)CC5)c4n3)cc2)C1.Cn1ccc(-c2ccc(-c3cc4cnc(Nc5ccc(N6CCNCC6)c(Cl)c5)nc4n(CC4CC4)c3=O)nc2)c1
• InChI: InChI=1S/C31H31ClN8O.C31H33FN8O.C31H36N10O3S2.C30H31FN8O.CH4/c1-38-11-8-22(19-38)21-4-6-27(34-16-21)25-14-23-17-35-31(37-29(23)40(30(25)41)18-20-2-3-20)36-24-5-7-28(26(32)15-24)39-12-9-33-10-13-39;1-19(2)40-29-23(15-25(30(40)41)21-5-7-22(8-6-21)28-34-12-13-38(28)4)18-35-31(37-29)36-24-9-10-27(26(32)16-24)39-14-11-33-17-20(39)3;1-37-16-17-45-26(20-37)21-4-6-23(7-5-21)35-31-33-19-22-18-25(29-32-12-15-40(29)27-8-11-34-38(27)2)30(42)41(28(22)36-31)24-9-13-39(14-10-24)46(3,43)44;1-4-39-28-20(13-24(29(39)40)22-7-5-6-8-23(22)27-16-32-18-37(27)3)15-34-30(36-28)35-21-9-10-26(25(31)14-21)38-12-11-33-19(2)17-38;/h4-8,11,14-17,19-20,33H,2-3,9-10,12-13,18H2,1H3,(H,35,36,37);5-10,12-13,15-16,18-20,33H,11,14,17H2,1-4H3,(H,35,36,37);4-8,11-12,15,18-19,24,26H,9-10,13-14,16-17,20H2,1-3H3,(H,33,35,36);5-10,13-16,18-19,33H,4,11-12,17H2,1-3H3,(H,34,35,36);1H4
• InChIKey: KWWLKHCQEDVZRL-UHFFFAOYSA-N
• XLogP: 18.83
• TPSA: 414.77 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 26
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2335.26
LogP ≤ 5	18.83
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-piperazin-1-ylanilino)-8-(cyclopropylmethyl)-6-[5-(1-methylpyrrol-3-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-(1-methylimidazol-2-yl)phenyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 2-(3-chloro-4-piperazin-1-ylanilino)-8-(cyclopropylmethyl)-6-[5-(1-methylpyrrol-3-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-(1-methylimidazol-2-yl)phenyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 159264092) is 2-(3-chloro-4-piperazin-1-ylanilino)-8-(cyclopropylmethyl)-6-[5-(1-methylpyrrol-3-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-(1-methylimidazol-2-yl)phenyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 2-(3-chloro-4-piperazin-1-ylanilino)-8-(cyclopropylmethyl)-6-[5-(1-methylpyrrol-3-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-(1-methylimidazol-2-yl)phenyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 2-(3-chloro-4-piperazin-1-ylanilino)-8-(cyclopropylmethyl)-6-[5-(1-methylpyrrol-3-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-(1-methylimidazol-2-yl)phenyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is C.CC1CNCCN1c1ccc(Nc2ncc3cc(-c4ccc(-c5nccn5C)cc4)c(=O)n(C(C)C)c3n2)cc1F.CCn1c(=O)c(-c2ccccc2-c2cncn2C)cc2cnc(Nc3ccc(N4CCNC(C)C4)c(F)c3)nc21.CN1CCSC(c2ccc(Nc3ncc4cc(-c5nccn5-c5ccnn5C)c(=O)n(C5CCN(S(C)(=O)=O)CC5)c4n3)cc2)C1.Cn1ccc(-c2ccc(-c3cc4cnc(Nc5ccc(N6CCNCC6)c(Cl)c5)nc4n(CC4CC4)c3=O)nc2)c1.

What is the InChIKey of 2-(3-chloro-4-piperazin-1-ylanilino)-8-(cyclopropylmethyl)-6-[5-(1-methylpyrrol-3-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-(1-methylimidazol-2-yl)phenyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is KWWLKHCQEDVZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31ClN8O.C31H33FN8O.C31H36N10O3S2.C30H31FN8O.CH4/c1-38-11-8-22(19-38)21-4-6-27(34-16-21)25-14-23-17-35-31(37-29(23)40(30(25)41)18-20-2-3-20)36-24-5-7-28(26(32)15-24)39-12-9-33-10-13-39;1-19(2)40-29-23(15-25(30(40)41)21-5-7-22(8-6-21)28-34-12-13-38(28)4)18-35-31(37-29)36-24-9-10-27(26(32)16-24)39-14-11-33-17-20(39)3;1-37-16-17-45-26(20-37)21-4-6-23(7-5-21)35-31-33-19-22-18-25(29-32-12-15-40(29)27-8-11-34-38(27)2)30(42)41(28(22)36-31)24-9-13-39(14-10-24)46(3,43)44;1-4-39-28-20(13-24(29(39)40)22-7-5-6-8-23(22)27-16-32-18-37(27)3)15-34-30(36-28)35-21-9-10-26(25(31)14-21)38-12-11-33-19(2)17-38;/h4-8,11,14-17,19-20,33H,2-3,9-10,12-13,18H2,1H3,(H,35,36,37);5-10,12-13,15-16,18-20,33H,11,14,17H2,1-4H3,(H,35,36,37);4-8,11-12,15,18-19,24,26H,9-10,13-14,16-17,20H2,1-3H3,(H,33,35,36);5-10,13-16,18-19,33H,4,11-12,17H2,1-3H3,(H,34,35,36);1H4.

What are the key properties of 2-(3-chloro-4-piperazin-1-ylanilino)-8-(cyclopropylmethyl)-6-[5-(1-methylpyrrol-3-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-(1-methylimidazol-2-yl)phenyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

2-(3-chloro-4-piperazin-1-ylanilino)-8-(cyclopropylmethyl)-6-[5-(1-methylpyrrol-3-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-(1-methylimidazol-2-yl)phenyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2335.26 g/mol, XLogP of 18.83, 26 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-piperazin-1-ylanilino)-8-(cyclopropylmethyl)-6-[5-(1-methylpyrrol-3-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-[2-(3-methylimidazol-4-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[4-(1-methylimidazol-2-yl)phenyl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;methane;6-[1-(2-methylpyrazol-3-yl)imidazol-2-yl]-8-(1-methylsulfonylpiperidin-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159264092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).