6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one

C140H164F3N29O10S2 — CID 158127716

About 6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one

6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158127716) has the molecular formula C140H164F3N29O10S2 and a molecular weight of 2534.17 g/mol. Its IUPAC name is 6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158127716
• Molecular Formula: C140H164F3N29O10S2
• Molecular Weight: 2534.17 g/mol
• Exact Mass: 2532.26
• IUPAC Name: 6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C(C)N1CCCCC1c1ccc(-c2cc3cnc(Nc4ccc(C5CCCN(C)C5)cc4)nc3n(CCN3CCOCC3)c2=O)cc1.C=S(C)(=O)N1CCC(c2ccc(-c3cc4cnc(Nc5ccc(C6CCN(C)CC6)cc5)nc4n(CCN(C)S(C)(=O)=O)c3=O)nc2)CC1.CN1CCN(c2ccc(Nc3ncc4cc(-c5cnc(C6CC6)nc5)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)CC1.Cc1nc(C2CCCC2)ccc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(C2CCOC2)c1=O
• InChI: InChI=1S/C39H49N7O2.C35H46N8O4S2.C33H31F3N8O.C33H38N6O3/c1-28(2)45-18-5-4-8-36(45)31-11-9-30(10-12-31)35-25-33-26-40-39(41-34-15-13-29(14-16-34)32-7-6-17-43(3)27-32)42-37(33)46(38(35)47)20-19-44-21-23-48-24-22-44;1-40-16-12-26(13-17-40)25-6-9-30(10-7-25)38-35-37-24-29-22-31(34(44)43(33(29)39-35)21-20-41(2)49(5,46)47)32-11-8-28(23-36-32)27-14-18-42(19-15-27)48(3,4)45;1-42-12-14-43(15-13-42)26-10-8-25(9-11-26)40-32-39-17-23-16-27(24-18-37-29(38-19-24)21-6-7-21)31(45)44(30(23)41-32)20-22-4-2-3-5-28(22)33(34,35)36;1-21-28(12-13-30(36-21)22-5-2-3-6-22)29-17-23-18-35-33(38-31(23)39(32(29)40)25-14-16-41-20-25)37-24-8-10-26(11-9-24)42-27-7-4-15-34-19-27/h9-16,25-26,32,36H,1,4-8,17-24,27H2,2-3H3,(H,40,41,42);6-11,22-24,26-27H,3,12-21H2,1-2,4-5H3,(H,37,38,39);2-5,8-11,16-19,21H,6-7,12-15,20H2,1H3,(H,39,40,41);8-13,17-18,22,25,27,34H,2-7,14-16,19-20H2,1H3,(H,35,37,38)
• InChIKey: FSJUKFCWOCTRHU-UHFFFAOYSA-N
• XLogP: 21.49
• TPSA: 407.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 33
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2534.17
LogP ≤ 5	21.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one (CID 158127716) is 6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one is C=C(C)N1CCCCC1c1ccc(-c2cc3cnc(Nc4ccc(C5CCCN(C)C5)cc4)nc3n(CCN3CCOCC3)c2=O)cc1.C=S(C)(=O)N1CCC(c2ccc(-c3cc4cnc(Nc5ccc(C6CCN(C)CC6)cc5)nc4n(CCN(C)S(C)(=O)=O)c3=O)nc2)CC1.CN1CCN(c2ccc(Nc3ncc4cc(-c5cnc(C6CC6)nc5)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)CC1.Cc1nc(C2CCCC2)ccc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(C2CCOC2)c1=O.

What is the InChIKey of 6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is FSJUKFCWOCTRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H49N7O2.C35H46N8O4S2.C33H31F3N8O.C33H38N6O3/c1-28(2)45-18-5-4-8-36(45)31-11-9-30(10-12-31)35-25-33-26-40-39(41-34-15-13-29(14-16-34)32-7-6-17-43(3)27-32)42-37(33)46(38(35)47)20-19-44-21-23-48-24-22-44;1-40-16-12-26(13-17-40)25-6-9-30(10-7-25)38-35-37-24-29-22-31(34(44)43(33(29)39-35)21-20-41(2)49(5,46)47)32-11-8-28(23-36-32)27-14-18-42(19-15-27)48(3,4)45;1-42-12-14-43(15-13-42)26-10-8-25(9-11-26)40-32-39-17-23-16-27(24-18-37-29(38-19-24)21-6-7-21)31(45)44(30(23)41-32)20-22-4-2-3-5-28(22)33(34,35)36;1-21-28(12-13-30(36-21)22-5-2-3-6-22)29-17-23-18-35-33(38-31(23)39(32(29)40)25-14-16-41-20-25)37-24-8-10-26(11-9-24)42-27-7-4-15-34-19-27/h9-16,25-26,32,36H,1,4-8,17-24,27H2,2-3H3,(H,40,41,42);6-11,22-24,26-27H,3,12-21H2,1-2,4-5H3,(H,37,38,39);2-5,8-11,16-19,21H,6-7,12-15,20H2,1H3,(H,39,40,41);8-13,17-18,22,25,27,34H,2-7,14-16,19-20H2,1H3,(H,35,37,38).

What are the key properties of 6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one?

6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2534.17 g/mol, XLogP of 21.49, 33 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-cyclopentyl-2-methyl-3-pyridinyl)-8-(oxolan-3-yl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopropylpyrimidin-5-yl)-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-[1-(methyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158127716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).