8-[[3-(cyclopenten-1-yl)thiophen-2-yl]methyl]-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1-methyltriazol-4-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-methyl-2-(oxan-4-yl)pyrrol-3-yl]methyl]-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

C130H133F3N32O5S3 — CID 160685103

About 8-[[3-(cyclopenten-1-yl)thiophen-2-yl]methyl]-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1-methyltriazol-4-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-methyl-2-(oxan-4-yl)pyrrol-3-yl]methyl]-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

8-[[3-(cyclopenten-1-yl)thiophen-2-yl]methyl]-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1-methyltriazol-4-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-methyl-2-(oxan-4-yl)pyrrol-3-yl]methyl]-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160685103) has the molecular formula C130H133F3N32O5S3 and a molecular weight of 2376.91 g/mol. Its IUPAC name is 8-[[3-(cyclopenten-1-yl)thiophen-2-yl]methyl]-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1-methyltriazol-4-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-methyl-2-(oxan-4-yl)pyrrol-3-yl]methyl]-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-[[3-(cyclopenten-1-yl)thiophen-2-yl]methyl]-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1-methyltriazol-4-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-methyl-2-(oxan-4-yl)pyrrol-3-yl]methyl]-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 160685103
• Molecular Formula: C130H133F3N32O5S3
• Molecular Weight: 2376.91 g/mol
• Exact Mass: 2375.03
• IUPAC Name: 8-[[3-(cyclopenten-1-yl)thiophen-2-yl]methyl]-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1-methyltriazol-4-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-methyl-2-(oxan-4-yl)pyrrol-3-yl]methyl]-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(Cc2sccc2C2=CCCC2)c1=O.CN1CCCCC1c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2nnn(C)c2C2CC2)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(Cc2ccn(C)c2C2CCOCC2)c1=O.O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n1Cc1nccnc1-c1nccs1
• InChI: InChI=1S/C36H35N5OS.C32H35N7O2S.C31H26F3N11OS.C31H37N9O/c1-24(25-7-3-2-4-8-25)32-21-29-22-38-36(39-30-13-11-26(12-14-30)27-15-18-37-19-16-27)40-34(29)41(35(32)42)23-33-31(17-20-43-33)28-9-5-6-10-28;1-20-28(35-19-42-20)27-15-25-17-34-32(36-26-5-3-21(4-6-26)23-7-11-33-16-23)37-30(25)39(31(27)40)18-24-8-12-38(2)29(24)22-9-13-41-14-10-22;32-31(33,34)22-15-20(3-4-25(22)44-11-8-35-9-12-44)42-30-40-16-19-14-23(41-21-2-1-5-36-17-21)29(46)45(27(19)43-30)18-24-26(38-7-6-37-24)28-39-10-13-47-28;1-38-16-4-3-5-27(38)25-17-23-18-33-31(34-24-10-8-20(9-11-24)21-12-14-32-15-13-21)35-29(23)40(30(25)41)19-26-28(22-6-7-22)39(2)37-36-26/h2-4,7-9,11-14,17,20-22,27,37H,1,5-6,10,15-16,18-19,23H2,(H,38,39,40);3-6,8,12,15,17,19,22-23,33H,7,9-11,13-14,16,18H2,1-2H3,(H,34,36,37);1-7,10,13-17,35,41H,8-9,11-12,18H2,(H,40,42,43);8-12,17-18,22,27,32H,3-7,13-16,19H2,1-2H3,(H,33,34,35)
• InChIKey: ROQUDFGVNVMNHT-UHFFFAOYSA-N
• XLogP: 22.25
• TPSA: 415.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 30
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2376.91
LogP ≤ 5	22.25
H-Bond Donors ≤ 5	9
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 8-[[3-(cyclopenten-1-yl)thiophen-2-yl]methyl]-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1-methyltriazol-4-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-methyl-2-(oxan-4-yl)pyrrol-3-yl]methyl]-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-[[3-(cyclopenten-1-yl)thiophen-2-yl]methyl]-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1-methyltriazol-4-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-methyl-2-(oxan-4-yl)pyrrol-3-yl]methyl]-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 160685103) is 8-[[3-(cyclopenten-1-yl)thiophen-2-yl]methyl]-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1-methyltriazol-4-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-methyl-2-(oxan-4-yl)pyrrol-3-yl]methyl]-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-[[3-(cyclopenten-1-yl)thiophen-2-yl]methyl]-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1-methyltriazol-4-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-methyl-2-(oxan-4-yl)pyrrol-3-yl]methyl]-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-[[3-(cyclopenten-1-yl)thiophen-2-yl]methyl]-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1-methyltriazol-4-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-methyl-2-(oxan-4-yl)pyrrol-3-yl]methyl]-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is C=C(c1ccccc1)c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(Cc2sccc2C2=CCCC2)c1=O.CN1CCCCC1c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2nnn(C)c2C2CC2)c1=O.Cc1scnc1-c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(Cc2ccn(C)c2C2CCOCC2)c1=O.O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n1Cc1nccnc1-c1nccs1.

What is the InChIKey of 8-[[3-(cyclopenten-1-yl)thiophen-2-yl]methyl]-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1-methyltriazol-4-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-methyl-2-(oxan-4-yl)pyrrol-3-yl]methyl]-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is ROQUDFGVNVMNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N5OS.C32H35N7O2S.C31H26F3N11OS.C31H37N9O/c1-24(25-7-3-2-4-8-25)32-21-29-22-38-36(39-30-13-11-26(12-14-30)27-15-18-37-19-16-27)40-34(29)41(35(32)42)23-33-31(17-20-43-33)28-9-5-6-10-28;1-20-28(35-19-42-20)27-15-25-17-34-32(36-26-5-3-21(4-6-26)23-7-11-33-16-23)37-30(25)39(31(27)40)18-24-8-12-38(2)29(24)22-9-13-41-14-10-22;32-31(33,34)22-15-20(3-4-25(22)44-11-8-35-9-12-44)42-30-40-16-19-14-23(41-21-2-1-5-36-17-21)29(46)45(27(19)43-30)18-24-26(38-7-6-37-24)28-39-10-13-47-28;1-38-16-4-3-5-27(38)25-17-23-18-33-31(34-24-10-8-20(9-11-24)21-12-14-32-15-13-21)35-29(23)40(30(25)41)19-26-28(22-6-7-22)39(2)37-36-26/h2-4,7-9,11-14,17,20-22,27,37H,1,5-6,10,15-16,18-19,23H2,(H,38,39,40);3-6,8,12,15,17,19,22-23,33H,7,9-11,13-14,16,18H2,1-2H3,(H,34,36,37);1-7,10,13-17,35,41H,8-9,11-12,18H2,(H,40,42,43);8-12,17-18,22,27,32H,3-7,13-16,19H2,1-2H3,(H,33,34,35).

What are the key properties of 8-[[3-(cyclopenten-1-yl)thiophen-2-yl]methyl]-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1-methyltriazol-4-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-methyl-2-(oxan-4-yl)pyrrol-3-yl]methyl]-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one?

8-[[3-(cyclopenten-1-yl)thiophen-2-yl]methyl]-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1-methyltriazol-4-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-methyl-2-(oxan-4-yl)pyrrol-3-yl]methyl]-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2376.91 g/mol, XLogP of 22.25, 30 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[3-(cyclopenten-1-yl)thiophen-2-yl]methyl]-6-(1-phenylethenyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-[(5-cyclopropyl-1-methyltriazol-4-yl)methyl]-6-(1-methylpiperidin-2-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[1-methyl-2-(oxan-4-yl)pyrrol-3-yl]methyl]-6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-6-(pyridin-3-ylamino)-8-[[3-(1,3-thiazol-2-yl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160685103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).