2-(3-chloro-4-piperazin-1-ylanilino)-8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-ethoxypyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-thiazol-4-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-2,5-diium-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-[[5-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

C127H137ClF2N28O7S3+2 — CID 162080983

About 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-ethoxypyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-thiazol-4-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-2,5-diium-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-[[5-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

2-(3-chloro-4-piperazin-1-ylanilino)-8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-ethoxypyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-thiazol-4-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-2,5-diium-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-[[5-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 162080983) has the molecular formula C127H137ClF2N28O7S3+2 and a molecular weight of 2337.33 g/mol. Its IUPAC name is 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-ethoxypyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-thiazol-4-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-2,5-diium-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-[[5-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-ethoxypyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-thiazol-4-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-2,5-diium-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-[[5-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 162080983
• Molecular Formula: C127H137ClF2N28O7S3+2
• Molecular Weight: 2337.33 g/mol
• Exact Mass: 2335.00
• IUPAC Name: 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-ethoxypyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-thiazol-4-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-2,5-diium-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-[[5-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(-[n+]4cc[n+]5c(c4)CCC5)cc3)nc2n(Cc2cnsc2C2=CCCC2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)c(F)c3)nc2n(Cc2ncccc2C2=CCCC2)c1=O)C1CCOCC1.CC1CNCCN1c1ccc(Nc2ncc3cc(C4CC4)c(=O)n(Cc4ncsc4C4CCOCC4)c3n2)cc1F.CCOc1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(Cc2scnc2C2CC2)c1=O
• InChI: InChI=1S/C37H42FN7O2.C34H32N7OS.C30H34FN7O2S.C26H28ClN7O2S/c1-23-20-44(21-24(2)41-23)34-11-10-29(18-32(34)38)42-37-40-19-28-17-31(25(3)26-12-15-47-16-13-26)36(46)45(35(28)43-37)22-33-30(9-6-14-39-33)27-7-4-5-8-27;1-22(23-8-9-23)30-17-25-18-35-34(37-27-10-12-28(13-11-27)40-16-15-39-14-4-7-29(39)21-40)38-32(25)41(33(30)42)20-26-19-36-43-31(26)24-5-2-3-6-24;1-18-14-32-8-9-37(18)26-5-4-22(13-24(26)31)35-30-33-15-21-12-23(19-2-3-19)29(39)38(28(21)36-30)16-25-27(41-17-34-25)20-6-10-40-11-7-20;1-2-36-21-11-17-13-29-26(31-18-5-6-20(19(27)12-18)33-9-7-28-8-10-33)32-24(17)34(25(21)35)14-22-23(16-3-4-16)30-15-37-22/h6-7,9-11,14,17-19,23-24,26,41H,3-5,8,12-13,15-16,20-22H2,1-2H3,(H,40,42,43);5,10-13,15-19,21,23H,1-4,6-9,14,20H2;4-5,12-13,15,17-20,32H,2-3,6-11,14,16H2,1H3,(H,33,35,36);5-6,11-13,15-16,28H,2-4,7-10,14H2,1H3,(H,29,31,32)/q;+1;;/p+1/t23-,24+
• InChIKey: GCSOURYNAFTMTI-YUDITJGDSA-O
• XLogP: 20.98
• TPSA: 372.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 31
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2337.33
LogP ≤ 5	20.98
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-ethoxypyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-thiazol-4-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-2,5-diium-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-[[5-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-ethoxypyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-thiazol-4-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-2,5-diium-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-[[5-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 162080983) is 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-ethoxypyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-thiazol-4-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-2,5-diium-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-[[5-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-ethoxypyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-thiazol-4-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-2,5-diium-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-[[5-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-ethoxypyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-thiazol-4-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-2,5-diium-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-[[5-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(-[n+]4cc[n+]5c(c4)CCC5)cc3)nc2n(Cc2cnsc2C2=CCCC2)c1=O)C1CC1.C=C(c1cc2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)c(F)c3)nc2n(Cc2ncccc2C2=CCCC2)c1=O)C1CCOCC1.CC1CNCCN1c1ccc(Nc2ncc3cc(C4CC4)c(=O)n(Cc4ncsc4C4CCOCC4)c3n2)cc1F.CCOc1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(Cc2scnc2C2CC2)c1=O.

What is the InChIKey of 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-ethoxypyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-thiazol-4-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-2,5-diium-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-[[5-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GCSOURYNAFTMTI-YUDITJGDSA-O. The full InChI is InChI=1S/C37H42FN7O2.C34H32N7OS.C30H34FN7O2S.C26H28ClN7O2S/c1-23-20-44(21-24(2)41-23)34-11-10-29(18-32(34)38)42-37-40-19-28-17-31(25(3)26-12-15-47-16-13-26)36(46)45(35(28)43-37)22-33-30(9-6-14-39-33)27-7-4-5-8-27;1-22(23-8-9-23)30-17-25-18-35-34(37-27-10-12-28(13-11-27)40-16-15-39-14-4-7-29(39)21-40)38-32(25)41(33(30)42)20-26-19-36-43-31(26)24-5-2-3-6-24;1-18-14-32-8-9-37(18)26-5-4-22(13-24(26)31)35-30-33-15-21-12-23(19-2-3-19)29(39)38(28(21)36-30)16-25-27(41-17-34-25)20-6-10-40-11-7-20;1-2-36-21-11-17-13-29-26(31-18-5-6-20(19(27)12-18)33-9-7-28-8-10-33)32-24(17)34(25(21)35)14-22-23(16-3-4-16)30-15-37-22/h6-7,9-11,14,17-19,23-24,26,41H,3-5,8,12-13,15-16,20-22H2,1-2H3,(H,40,42,43);5,10-13,15-19,21,23H,1-4,6-9,14,20H2;4-5,12-13,15,17-20,32H,2-3,6-11,14,16H2,1H3,(H,33,35,36);5-6,11-13,15-16,28H,2-4,7-10,14H2,1H3,(H,29,31,32)/q;+1;;/p+1/t23-,24+;;;.

What are the key properties of 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-ethoxypyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-thiazol-4-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-2,5-diium-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-[[5-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

2-(3-chloro-4-piperazin-1-ylanilino)-8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-ethoxypyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-thiazol-4-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-2,5-diium-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-[[5-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2337.33 g/mol, XLogP of 20.98, 31 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-piperazin-1-ylanilino)-8-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-6-ethoxypyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-thiazol-4-yl]methyl]-6-(1-cyclopropylethenyl)-2-[4-(7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-2,5-diium-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-cyclopropyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-[[5-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 162080983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).