6-benzoyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-oxazol-4-yl]methyl]-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

C131H134N28O11S — CID 159198910

About 6-benzoyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-oxazol-4-yl]methyl]-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

6-benzoyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-oxazol-4-yl]methyl]-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159198910) has the molecular formula C131H134N28O11S and a molecular weight of 2308.76 g/mol. Its IUPAC name is 6-benzoyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-oxazol-4-yl]methyl]-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-benzoyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-oxazol-4-yl]methyl]-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 159198910
• Molecular Formula: C131H134N28O11S
• Molecular Weight: 2308.76 g/mol
• Exact Mass: 2307.05
• IUPAC Name: 6-benzoyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-oxazol-4-yl]methyl]-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2cnoc2C2=CCCC2)c1=O)C1CCOCC1.CN1CCC(c2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(Cc5ocnc5C5CCOCC5)c4n3)cc2)C1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2ncoc2C2CC2)c1=O.O=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(Cc2cncn2-c2nccs2)c1=O
• InChI: InChI=1S/C34H37N7O3.C33H37N7O3.C32H28N8O2S.C32H32N6O3/c1-39-15-12-25(20-39)23-8-10-27(11-9-23)37-34-35-19-26-18-29(40(2)28-6-4-3-5-7-28)33(42)41(32(26)38-34)21-30-31(36-22-44-30)24-13-16-43-17-14-24;1-22(23-10-16-42-17-11-23)29-18-25-19-35-33(37-27-6-8-28(9-7-27)39-14-12-34-13-15-39)38-31(25)40(32(29)41)21-26-20-36-43-30(26)24-4-2-3-5-24;41-28(23-4-2-1-3-5-23)27-16-24-17-36-31(37-25-8-6-21(7-9-25)22-10-12-33-13-11-22)38-29(24)39(30(27)42)19-26-18-34-20-40(26)32-35-14-15-43-32;1-20-5-2-3-7-27(20)41-28-15-24-17-34-32(36-25-12-10-21(11-13-25)23-6-4-14-33-16-23)37-30(24)38(31(28)39)18-26-29(22-8-9-22)40-19-35-26/h3-11,18-19,22,24-25H,12-17,20-21H2,1-2H3,(H,35,37,38);4,6-9,18-20,23,34H,1-3,5,10-17,21H2,(H,35,37,38);1-9,14-18,20,22,33H,10-13,19H2,(H,36,37,38);2-3,5,7,10-13,15,17,19,22-23,33H,4,6,8-9,14,16,18H2,1H3,(H,34,36,37)
• InChIKey: KPAHRROFOGSVSO-UHFFFAOYSA-N
• XLogP: 21.58
• TPSA: 438.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2308.76
LogP ≤ 5	21.58
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 6-benzoyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-oxazol-4-yl]methyl]-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-benzoyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-oxazol-4-yl]methyl]-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 159198910) is 6-benzoyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-oxazol-4-yl]methyl]-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-benzoyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-oxazol-4-yl]methyl]-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-benzoyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-oxazol-4-yl]methyl]-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2cnoc2C2=CCCC2)c1=O)C1CCOCC1.CN1CCC(c2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(Cc5ocnc5C5CCOCC5)c4n3)cc2)C1.Cc1ccccc1Oc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2ncoc2C2CC2)c1=O.O=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(Cc2cncn2-c2nccs2)c1=O.

What is the InChIKey of 6-benzoyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-oxazol-4-yl]methyl]-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is KPAHRROFOGSVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N7O3.C33H37N7O3.C32H28N8O2S.C32H32N6O3/c1-39-15-12-25(20-39)23-8-10-27(11-9-23)37-34-35-19-26-18-29(40(2)28-6-4-3-5-7-28)33(42)41(32(26)38-34)21-30-31(36-22-44-30)24-13-16-43-17-14-24;1-22(23-10-16-42-17-11-23)29-18-25-19-35-33(37-27-6-8-28(9-7-27)39-14-12-34-13-15-39)38-31(25)40(32(29)41)21-26-20-36-43-30(26)24-4-2-3-5-24;41-28(23-4-2-1-3-5-23)27-16-24-17-36-31(37-25-8-6-21(7-9-25)22-10-12-33-13-11-22)38-29(24)39(30(27)42)19-26-18-34-20-40(26)32-35-14-15-43-32;1-20-5-2-3-7-27(20)41-28-15-24-17-34-32(36-25-12-10-21(11-13-25)23-6-4-14-33-16-23)37-30(24)38(31(28)39)18-26-29(22-8-9-22)40-19-35-26/h3-11,18-19,22,24-25H,12-17,20-21H2,1-2H3,(H,35,37,38);4,6-9,18-20,23,34H,1-3,5,10-17,21H2,(H,35,37,38);1-9,14-18,20,22,33H,10-13,19H2,(H,36,37,38);2-3,5,7,10-13,15,17,19,22-23,33H,4,6,8-9,14,16,18H2,1H3,(H,34,36,37).

What are the key properties of 6-benzoyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-oxazol-4-yl]methyl]-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

6-benzoyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-oxazol-4-yl]methyl]-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2308.76 g/mol, XLogP of 21.58, 32 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzoyl-2-(4-piperidin-4-ylanilino)-8-[[3-(1,3-thiazol-2-yl)imidazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[5-(cyclopenten-1-yl)-1,2-oxazol-4-yl]methyl]-6-[1-(oxan-4-yl)ethenyl]-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1,3-oxazol-4-yl)methyl]-6-(2-methylphenoxy)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(N-methylanilino)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-[[4-(oxan-4-yl)-1,3-oxazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159198910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).