8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

C127H133N31O8S2 — CID 161261993

About 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161261993) has the molecular formula C127H133N31O8S2 and a molecular weight of 2285.80 g/mol. Its IUPAC name is 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 161261993
• Molecular Formula: C127H133N31O8S2
• Molecular Weight: 2285.80 g/mol
• Exact Mass: 2284.04
• IUPAC Name: 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: C.Cc1cc(-c2cnco2)ccc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C(C)C)c1=O.Cc1cc(-c2cocn2)cnc1-c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(CC2CC2)c1=O.Cc1cc(-c2nnco2)ncc1-c1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(C2CCCC2)c1=O.Cc1sc(-c2ccccc2)nc1-c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(Cc2nccs2)c1=O
• InChI: InChI=1S/C33H32N8OS2.C31H32N8O3.C31H32N8O2.C31H33N7O2.CH4/c1-21-29(38-31(44-21)22-6-4-3-5-7-22)27-18-23-19-36-33(39-30(23)41(32(27)42)20-28-35-16-17-43-28)37-24-8-10-25(11-9-24)40(2)26-12-14-34-15-13-26;1-19-13-26(29-37-34-18-42-29)32-16-25(19)24-14-21-15-33-31(36-28(21)39(30(24)40)23-5-3-4-6-23)35-22-9-7-20(8-10-22)27-17-38(2)11-12-41-27;1-19-11-21(27-17-41-18-34-27)13-32-28(19)26-12-22-14-33-31(37-29(22)39(30(26)40)15-20-3-4-20)36-24-7-5-23(6-8-24)35-25-9-10-38(2)16-25;1-19(2)38-29-22(15-27(30(38)39)26-9-4-21(14-20(26)3)28-17-33-18-40-28)16-34-31(37-29)36-24-7-5-23(6-8-24)35-25-10-12-32-13-11-25;/h3-11,16-19,26,34H,12-15,20H2,1-2H3,(H,36,37,39);7-10,13-16,18,23,27H,3-6,11-12,17H2,1-2H3,(H,33,35,36);5-8,11-14,17-18,20,25,35H,3-4,9-10,15-16H2,1-2H3,(H,33,36,37);4-9,14-19,25,32,35H,10-13H2,1-3H3,(H,34,36,37);1H4
• InChIKey: VCRDICPGSQNARY-UHFFFAOYSA-N
• XLogP: 23.03
• TPSA: 448.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 29
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2285.80
LogP ≤ 5	23.03
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 161261993) is 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is C.Cc1cc(-c2cnco2)ccc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C(C)C)c1=O.Cc1cc(-c2cocn2)cnc1-c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(CC2CC2)c1=O.Cc1cc(-c2nnco2)ncc1-c1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(C2CCCC2)c1=O.Cc1sc(-c2ccccc2)nc1-c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(Cc2nccs2)c1=O.

What is the InChIKey of 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is VCRDICPGSQNARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N8OS2.C31H32N8O3.C31H32N8O2.C31H33N7O2.CH4/c1-21-29(38-31(44-21)22-6-4-3-5-7-22)27-18-23-19-36-33(39-30(23)41(32(27)42)20-28-35-16-17-43-28)37-24-8-10-25(11-9-24)40(2)26-12-14-34-15-13-26;1-19-13-26(29-37-34-18-42-29)32-16-25(19)24-14-21-15-33-31(36-28(21)39(30(24)40)23-5-3-4-6-23)35-22-9-7-20(8-10-22)27-17-38(2)11-12-41-27;1-19-11-21(27-17-41-18-34-27)13-32-28(19)26-12-22-14-33-31(37-29(22)39(30(26)40)15-20-3-4-20)36-24-7-5-23(6-8-24)35-25-9-10-38(2)16-25;1-19(2)38-29-22(15-27(30(38)39)26-9-4-21(14-20(26)3)28-17-33-18-40-28)16-34-31(37-29)36-24-7-5-23(6-8-24)35-25-10-12-32-13-11-25;/h3-11,16-19,26,34H,12-15,20H2,1-2H3,(H,36,37,39);7-10,13-16,18,23,27H,3-6,11-12,17H2,1-2H3,(H,33,35,36);5-8,11-14,17-18,20,25,35H,3-4,9-10,15-16H2,1-2H3,(H,33,36,37);4-9,14-19,25,32,35H,10-13H2,1-3H3,(H,34,36,37);1H4.

What are the key properties of 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?

8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2285.80 g/mol, XLogP of 23.03, 29 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;methane;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161261993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).