8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(1-methylpiperidin-2-yl)-8-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(1,3-thiazol-2-yl)triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

C135H141F3N34O8S — CID 160643818

About 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(1-methylpiperidin-2-yl)-8-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(1,3-thiazol-2-yl)triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(1-methylpiperidin-2-yl)-8-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(1,3-thiazol-2-yl)triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160643818) has the molecular formula C135H141F3N34O8S and a molecular weight of 2456.90 g/mol. Its IUPAC name is 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(1-methylpiperidin-2-yl)-8-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(1,3-thiazol-2-yl)triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(1-methylpiperidin-2-yl)-8-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(1,3-thiazol-2-yl)triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160643818
• Molecular Formula: C135H141F3N34O8S
• Molecular Weight: 2456.90 g/mol
• Exact Mass: 2455.13
• IUPAC Name: 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(1-methylpiperidin-2-yl)-8-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(1,3-thiazol-2-yl)triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)c(F)c3)nc2n(Cc2ncccc2C2=CCCC2)c1=O)C1CCOCC1.C=C(c1ccccc1)c1cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc2n(Cc2cnnn2-c2nccs2)c1=O.CC1CN(c2ccc(Nc3ncc4cc(C5CCCCN5C)c(=O)n(Cc5cnoc5-c5ccncc5)c4n3)cc2F)CCN1.CN1CCC(Oc2ccc(Nc3ncc4cc(Nc5cccnc5)c(=O)n(Cc5ocnc5C5=CCCC5)c4n3)cc2)CC1
• InChI: InChI=1S/C37H42FN7O2.C33H36FN9O2.C33H34N8O3.C32H29FN10OS/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;1-21-19-42(14-12-36-21)29-7-6-25(16-27(29)34)39-33-37-17-23-15-26(28-5-3-4-13-41(28)2)32(44)43(31(23)40-33)20-24-18-38-45-30(24)22-8-10-35-11-9-22;1-40-15-12-27(13-16-40)44-26-10-8-24(9-11-26)38-33-35-18-23-17-28(37-25-7-4-14-34-19-25)32(42)41(31(23)39-33)20-29-30(36-21-43-29)22-5-2-3-6-22;1-20-16-34-10-12-41(20)28-9-8-24(15-27(28)33)38-31-36-17-23-14-26(21(2)22-6-4-3-5-7-22)30(44)42(29(23)39-31)19-25-18-37-40-43(25)32-35-11-13-45-32/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);6-11,15-18,21,28,36H,3-5,12-14,19-20H2,1-2H3,(H,37,39,40);4-5,7-11,14,17-19,21,27,37H,2-3,6,12-13,15-16,20H2,1H3,(H,35,38,39);3-9,11,13-15,17-18,20,34H,2,10,12,16,19H2,1H3,(H,36,38,39)/t23-,24+
• InChIKey: RJNHJQSNYVUYSO-YUDITJGDSA-N
• XLogP: 21.41
• TPSA: 456.35 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 32
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2456.90
LogP ≤ 5	21.41
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 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(1-methylpiperidin-2-yl)-8-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(1,3-thiazol-2-yl)triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(1-methylpiperidin-2-yl)-8-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(1,3-thiazol-2-yl)triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 160643818) is 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(1-methylpiperidin-2-yl)-8-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(1,3-thiazol-2-yl)triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(1-methylpiperidin-2-yl)-8-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(1,3-thiazol-2-yl)triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(1-methylpiperidin-2-yl)-8-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(1,3-thiazol-2-yl)triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)c(F)c3)nc2n(Cc2ncccc2C2=CCCC2)c1=O)C1CCOCC1.C=C(c1ccccc1)c1cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc2n(Cc2cnnn2-c2nccs2)c1=O.CC1CN(c2ccc(Nc3ncc4cc(C5CCCCN5C)c(=O)n(Cc5cnoc5-c5ccncc5)c4n3)cc2F)CCN1.CN1CCC(Oc2ccc(Nc3ncc4cc(Nc5cccnc5)c(=O)n(Cc5ocnc5C5=CCCC5)c4n3)cc2)CC1.

What is the InChIKey of 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(1-methylpiperidin-2-yl)-8-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(1,3-thiazol-2-yl)triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is RJNHJQSNYVUYSO-YUDITJGDSA-N. The full InChI is InChI=1S/C37H42FN7O2.C33H36FN9O2.C33H34N8O3.C32H29FN10OS/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;1-21-19-42(14-12-36-21)29-7-6-25(16-27(29)34)39-33-37-17-23-15-26(28-5-3-4-13-41(28)2)32(44)43(31(23)40-33)20-24-18-38-45-30(24)22-8-10-35-11-9-22;1-40-15-12-27(13-16-40)44-26-10-8-24(9-11-26)38-33-35-18-23-17-28(37-25-7-4-14-34-19-25)32(42)41(31(23)39-33)20-29-30(36-21-43-29)22-5-2-3-6-22;1-20-16-34-10-12-41(20)28-9-8-24(15-27(28)33)38-31-36-17-23-14-26(21(2)22-6-4-3-5-7-22)30(44)42(29(23)39-31)19-25-18-37-40-43(25)32-35-11-13-45-32/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);6-11,15-18,21,28,36H,3-5,12-14,19-20H2,1-2H3,(H,37,39,40);4-5,7-11,14,17-19,21,27,37H,2-3,6,12-13,15-16,20H2,1H3,(H,35,38,39);3-9,11,13-15,17-18,20,34H,2,10,12,16,19H2,1H3,(H,36,38,39)/t23-,24+;;;.

What are the key properties of 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(1-methylpiperidin-2-yl)-8-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(1,3-thiazol-2-yl)triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(1-methylpiperidin-2-yl)-8-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(1,3-thiazol-2-yl)triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2456.90 g/mol, XLogP of 21.41, 32 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[4-(cyclopenten-1-yl)-1,3-oxazol-5-yl]methyl]-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)-2-pyridinyl]methyl]-2-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(1-methylpiperidin-2-yl)-8-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-(1-phenylethenyl)-8-[[3-(1,3-thiazol-2-yl)triazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160643818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).