2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane

C129H142ClF2N33O7S4 — CID 157151453

About 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane

2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane (PubChem CID 157151453) has the molecular formula C129H142ClF2N33O7S4 and a molecular weight of 2468.50 g/mol. Its IUPAC name is 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane.

Molecular Properties

• Compound Name: 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane
• PubChem CID: 157151453
• Molecular Formula: C129H142ClF2N33O7S4
• Molecular Weight: 2468.50 g/mol
• Exact Mass: 2466.03
• IUPAC Name: 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane
• SMILES: C.CC1CN(c2ccc(Nc3ncc4cc(-c5ccc(C6CCNCC6)cn5)c(=O)n(Cc5nccs5)c4n3)cc2F)CCN1.CC1CNCCN1c1ccc(Nc2ncc3cc(-c4cnc(-c5nccs5)nc4)c(=O)n(CC4CCOCC4)c3n2)cc1F.CN1CCSC(c2ccc(Nc3ncc4cc(-c5ccc(C6CCCCC6)cc5)c(=O)n(-c5nccs5)c4n3)cc2)C1.Cn1cc(C2CCOCC2)nc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(CC(=O)N2CCCC2)c1=O
• InChI: InChI=1S/C33H34N6OS2.C32H38ClN9O3.C32H34FN9OS.C31H32FN9O2S.CH4/c1-38-16-18-41-29(21-38)25-11-13-27(14-12-25)36-32-35-20-26-19-28(31(40)39(30(26)37-32)33-34-15-17-42-33)24-9-7-23(8-10-24)22-5-3-2-4-6-22;1-39-19-26(21-6-14-45-15-7-21)37-30(39)24-16-22-18-35-32(36-23-4-5-27(25(33)17-23)40-12-8-34-9-13-40)38-29(22)42(31(24)44)20-28(43)41-10-2-3-11-41;1-20-18-41(12-10-35-20)28-5-3-24(15-26(28)33)39-32-38-17-23-14-25(27-4-2-22(16-37-27)21-6-8-34-9-7-21)31(43)42(30(23)40-32)19-29-36-11-13-44-29;1-19-14-33-6-8-40(19)26-3-2-23(13-25(26)32)38-31-37-15-21-12-24(22-16-35-27(36-17-22)29-34-7-11-44-29)30(42)41(28(21)39-31)18-20-4-9-43-10-5-20;/h7-15,17,19-20,22,29H,2-6,16,18,21H2,1H3,(H,35,36,37);4-5,16-19,21,34H,2-3,6-15,20H2,1H3,(H,35,36,38);2-5,11,13-17,20-21,34-35H,6-10,12,18-19H2,1H3,(H,38,39,40);2-3,7,11-13,15-17,19-20,33H,4-6,8-10,14,18H2,1H3,(H,37,38,39);1H4
• InChIKey: ALHKRSBNAICGAX-UHFFFAOYSA-N
• XLogP: 20.55
• TPSA: 434.25 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 27
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2468.50
LogP ≤ 5	20.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

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)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane?

The IUPAC name of 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane (CID 157151453) is 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane.

What is the SMILES notation for 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane?

The canonical SMILES for 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane is C.CC1CN(c2ccc(Nc3ncc4cc(-c5ccc(C6CCNCC6)cn5)c(=O)n(Cc5nccs5)c4n3)cc2F)CCN1.CC1CNCCN1c1ccc(Nc2ncc3cc(-c4cnc(-c5nccs5)nc4)c(=O)n(CC4CCOCC4)c3n2)cc1F.CN1CCSC(c2ccc(Nc3ncc4cc(-c5ccc(C6CCCCC6)cc5)c(=O)n(-c5nccs5)c4n3)cc2)C1.Cn1cc(C2CCOCC2)nc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(CC(=O)N2CCCC2)c1=O.

What is the InChIKey of 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane?

The InChIKey is ALHKRSBNAICGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6OS2.C32H38ClN9O3.C32H34FN9OS.C31H32FN9O2S.CH4/c1-38-16-18-41-29(21-38)25-11-13-27(14-12-25)36-32-35-20-26-19-28(31(40)39(30(26)37-32)33-34-15-17-42-33)24-9-7-23(8-10-24)22-5-3-2-4-6-22;1-39-19-26(21-6-14-45-15-7-21)37-30(39)24-16-22-18-35-32(36-23-4-5-27(25(33)17-23)40-12-8-34-9-13-40)38-29(22)42(31(24)44)20-28(43)41-10-2-3-11-41;1-20-18-41(12-10-35-20)28-5-3-24(15-26(28)33)39-32-38-17-23-14-25(27-4-2-22(16-37-27)21-6-8-34-9-7-21)31(43)42(30(23)40-32)19-29-36-11-13-44-29;1-19-14-33-6-8-40(19)26-3-2-23(13-25(26)32)38-31-37-15-21-12-24(22-16-35-27(36-17-22)29-34-7-11-44-29)30(42)41(28(21)39-31)18-20-4-9-43-10-5-20;/h7-15,17,19-20,22,29H,2-6,16,18,21H2,1H3,(H,35,36,37);4-5,16-19,21,34H,2-3,6-15,20H2,1H3,(H,35,36,38);2-5,11,13-17,20-21,34-35H,6-10,12,18-19H2,1H3,(H,38,39,40);2-3,7,11-13,15-17,19-20,33H,4-6,8-10,14,18H2,1H3,(H,37,38,39);1H4.

What are the key properties of 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane?

2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane has a molecular weight of 2468.50 g/mol, XLogP of 20.55, 27 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-piperazin-1-ylanilino)-6-[1-methyl-4-(oxan-4-yl)imidazol-2-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;methane is sourced from PubChem (CID 157151453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).