6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-5-methylpyrimidin-4-yl]-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

C96H102ClF5N26O6S2 — CID 160850060

About 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-5-methylpyrimidin-4-yl]-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one

6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-5-methylpyrimidin-4-yl]-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160850060) has the molecular formula C96H102ClF5N26O6S2 and a molecular weight of 1910.62 g/mol. Its IUPAC name is 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-5-methylpyrimidin-4-yl]-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-5-methylpyrimidin-4-yl]-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160850060
• Molecular Formula: C96H102ClF5N26O6S2
• Molecular Weight: 1910.62 g/mol
• Exact Mass: 1908.75
• IUPAC Name: 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-5-methylpyrimidin-4-yl]-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(=O)N1CCCCC1c1ccc(-c2cc3cnc(Nc4ccc(N5CCNC(C)C5)c(F)c4)nc3n(-c3ccccc3)c2=O)c(C)n1.Cc1cnc(C2CCN(S(C)(O)O)CC2)nc1-c1cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc2n(CC(F)(F)F)c1=O.Cc1nc(C2CC2)ncc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(-c2nccs2)c1=O
• InChI: InChI=1S/C37H39FN8O2.C31H37F4N9O3S.C28H26ClN9OS/c1-23-22-44(18-16-39-23)33-15-12-27(20-31(33)38)42-37-40-21-26-19-30(36(48)46(35(26)43-37)28-9-5-4-6-10-28)29-13-14-32(41-24(29)2)34-11-7-8-17-45(34)25(3)47;1-18-14-37-27(20-6-9-42(10-7-20)48(3,46)47)40-26(18)23-12-21-16-38-30(41-28(21)44(29(23)45)17-31(33,34)35)39-22-4-5-25(24(32)13-22)43-11-8-36-15-19(43)2;1-16-21(15-32-24(34-16)17-2-3-17)20-12-18-14-33-27(36-25(18)38(26(20)39)28-31-8-11-40-28)35-19-4-5-23(22(29)13-19)37-9-6-30-7-10-37/h4-6,9-10,12-15,19-21,23,34,39H,7-8,11,16-18,22H2,1-3H3,(H,40,42,43);4-5,12-14,16,19-20,36,46-47H,6-11,15,17H2,1-3H3,(H,38,39,41);4-5,8,11-15,17,30H,2-3,6-7,9-10H2,1H3,(H,33,35,36)
• InChIKey: SJDJDDCVSXMBNJ-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 366.59 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1910.62
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

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-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-5-methylpyrimidin-4-yl]-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-5-methylpyrimidin-4-yl]-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one (CID 160850060) is 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-5-methylpyrimidin-4-yl]-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-5-methylpyrimidin-4-yl]-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-5-methylpyrimidin-4-yl]-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is CC(=O)N1CCCCC1c1ccc(-c2cc3cnc(Nc4ccc(N5CCNC(C)C5)c(F)c4)nc3n(-c3ccccc3)c2=O)c(C)n1.Cc1cnc(C2CCN(S(C)(O)O)CC2)nc1-c1cc2cnc(Nc3ccc(N4CCNCC4C)c(F)c3)nc2n(CC(F)(F)F)c1=O.Cc1nc(C2CC2)ncc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(Cl)c3)nc2n(-c2nccs2)c1=O.

What is the InChIKey of 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-5-methylpyrimidin-4-yl]-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is SJDJDDCVSXMBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39FN8O2.C31H37F4N9O3S.C28H26ClN9OS/c1-23-22-44(18-16-39-23)33-15-12-27(20-31(33)38)42-37-40-21-26-19-30(36(48)46(35(26)43-37)28-9-5-4-6-10-28)29-13-14-32(41-24(29)2)34-11-7-8-17-45(34)25(3)47;1-18-14-37-27(20-6-9-42(10-7-20)48(3,46)47)40-26(18)23-12-21-16-38-30(41-28(21)44(29(23)45)17-31(33,34)35)39-22-4-5-25(24(32)13-22)43-11-8-36-15-19(43)2;1-16-21(15-32-24(34-16)17-2-3-17)20-12-18-14-33-27(36-25(18)38(26(20)39)28-31-8-11-40-28)35-19-4-5-23(22(29)13-19)37-9-6-30-7-10-37/h4-6,9-10,12-15,19-21,23,34,39H,7-8,11,16-18,22H2,1-3H3,(H,40,42,43);4-5,12-14,16,19-20,36,46-47H,6-11,15,17H2,1-3H3,(H,38,39,41);4-5,8,11-15,17,30H,2-3,6-7,9-10H2,1H3,(H,33,35,36).

What are the key properties of 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-5-methylpyrimidin-4-yl]-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one?

6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-5-methylpyrimidin-4-yl]-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 1910.62 g/mol, XLogP of 15.87, 19 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[2-[1-[dihydroxy(methyl)-λ4-sulfanyl]piperidin-4-yl]-5-methylpyrimidin-4-yl]-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160850060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).