8-butan-2-yl-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[1-(4H-pyrazol-3-yl)-2,3-dihydropyrrol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]-6-(4-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;dihydrate

C165H195F3N40O11 — CID 159217137

About 8-butan-2-yl-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[1-(4H-pyrazol-3-yl)-2,3-dihydropyrrol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]-6-(4-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;dihydrate

8-butan-2-yl-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[1-(4H-pyrazol-3-yl)-2,3-dihydropyrrol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]-6-(4-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;dihydrate (PubChem CID 159217137) has the molecular formula C165H195F3N40O11 and a molecular weight of 2971.64 g/mol. Its IUPAC name is 8-butan-2-yl-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[1-(4H-pyrazol-3-yl)-2,3-dihydropyrrol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]-6-(4-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;dihydrate.

Molecular Properties

• Compound Name: 8-butan-2-yl-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[1-(4H-pyrazol-3-yl)-2,3-dihydropyrrol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]-6-(4-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;dihydrate
• PubChem CID: 159217137
• Molecular Formula: C165H195F3N40O11
• Molecular Weight: 2971.64 g/mol
• Exact Mass: 2969.59
• IUPAC Name: 8-butan-2-yl-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[1-(4H-pyrazol-3-yl)-2,3-dihydropyrrol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]-6-(4-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;dihydrate
• SMILES: CCC(C)n1c(=O)c(-c2ccc(C3CCNC3)cn2)cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc21.CN1CCC(Nc2ccc(Nc3ncc4cc(-c5cnc(C6CCOC6)nc5)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)C1.CN1CCN(c2ccc(Nc3ncc4cc(C5=CCCN5C5=NN=CC5)c(=O)n(CC5CCOCC5)c4n3)cc2)CC1.Cc1cc(Nc2ncc3cc(-c4ccccc4C4CCCC4)c(=O)n(CC(=O)N4CCCC4)c3n2)ccc1N1CCNCC1.O.O.O=c1c(-c2ccc(C3CCCN3)cc2)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n1CCN1CCOCC1
• InChI: InChI=1S/C35H41N7O2.C34H33F3N8O2.C34H42N8O2.C31H37N9O2.C31H38N8O.2H2O/c1-24-20-27(12-13-31(24)40-18-14-36-15-19-40)38-35-37-22-26-21-30(29-11-5-4-10-28(29)25-8-2-3-9-25)34(44)42(33(26)39-35)23-32(43)41-16-6-7-17-41;1-44-12-10-27(19-44)41-25-6-8-26(9-7-25)42-33-40-15-23-14-28(24-16-38-30(39-17-24)22-11-13-47-20-22)32(46)45(31(23)43-33)18-21-4-2-3-5-29(21)34(35,36)37;43-33-30(24-5-7-25(8-6-24)31-4-2-14-36-31)21-26-22-37-34(40-32(26)42(33)16-15-41-17-19-44-20-18-41)39-28-11-9-27(10-12-28)38-29-3-1-13-35-23-29;1-37-13-15-38(16-14-37)25-6-4-24(5-7-25)34-31-32-20-23-19-26(27-3-2-12-39(27)28-8-11-33-36-28)30(41)40(29(23)35-31)21-22-9-17-42-18-10-22;1-3-20(2)39-29-23(16-27(30(39)40)28-9-4-21(18-34-28)22-10-13-33-17-22)19-35-31(38-29)37-25-7-5-24(6-8-25)36-26-11-14-32-15-12-26;;/h4-5,10-13,20-22,25,36H,2-3,6-9,14-19,23H2,1H3,(H,37,38,39);2-9,14-17,22,27,41H,10-13,18-20H2,1H3,(H,40,42,43);5-12,21-22,29,31,35-36,38H,1-4,13-20,23H2,(H,37,39,40);3-7,11,19-20,22H,2,8-10,12-18,21H2,1H3,(H,32,34,35);4-9,16,18-20,22,26,32-33,36H,3,10-15,17H2,1-2H3,(H,35,37,38);2*1H2
• InChIKey: NPEWPBZWPYZIFR-UHFFFAOYSA-N
• XLogP: 21.71
• TPSA: 589.12 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 48
• Rotatable Bonds: 38
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2971.64
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	48

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-butan-2-yl-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[1-(4H-pyrazol-3-yl)-2,3-dihydropyrrol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]-6-(4-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;dihydrate?

The IUPAC name of 8-butan-2-yl-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[1-(4H-pyrazol-3-yl)-2,3-dihydropyrrol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]-6-(4-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;dihydrate (CID 159217137) is 8-butan-2-yl-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[1-(4H-pyrazol-3-yl)-2,3-dihydropyrrol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]-6-(4-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;dihydrate.

What is the SMILES notation for 8-butan-2-yl-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[1-(4H-pyrazol-3-yl)-2,3-dihydropyrrol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]-6-(4-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;dihydrate?

The canonical SMILES for 8-butan-2-yl-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[1-(4H-pyrazol-3-yl)-2,3-dihydropyrrol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]-6-(4-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;dihydrate is CCC(C)n1c(=O)c(-c2ccc(C3CCNC3)cn2)cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc21.CN1CCC(Nc2ccc(Nc3ncc4cc(-c5cnc(C6CCOC6)nc5)c(=O)n(Cc5ccccc5C(F)(F)F)c4n3)cc2)C1.CN1CCN(c2ccc(Nc3ncc4cc(C5=CCCN5C5=NN=CC5)c(=O)n(CC5CCOCC5)c4n3)cc2)CC1.Cc1cc(Nc2ncc3cc(-c4ccccc4C4CCCC4)c(=O)n(CC(=O)N4CCCC4)c3n2)ccc1N1CCNCC1.O.O.O=c1c(-c2ccc(C3CCCN3)cc2)cc2cnc(Nc3ccc(NC4CCCNC4)cc3)nc2n1CCN1CCOCC1.

What is the InChIKey of 8-butan-2-yl-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[1-(4H-pyrazol-3-yl)-2,3-dihydropyrrol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]-6-(4-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;dihydrate?

The InChIKey is NPEWPBZWPYZIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N7O2.C34H33F3N8O2.C34H42N8O2.C31H37N9O2.C31H38N8O.2H2O/c1-24-20-27(12-13-31(24)40-18-14-36-15-19-40)38-35-37-22-26-21-30(29-11-5-4-10-28(29)25-8-2-3-9-25)34(44)42(33(26)39-35)23-32(43)41-16-6-7-17-41;1-44-12-10-27(19-44)41-25-6-8-26(9-7-25)42-33-40-15-23-14-28(24-16-38-30(39-17-24)22-11-13-47-20-22)32(46)45(31(23)43-33)18-21-4-2-3-5-29(21)34(35,36)37;43-33-30(24-5-7-25(8-6-24)31-4-2-14-36-31)21-26-22-37-34(40-32(26)42(33)16-15-41-17-19-44-20-18-41)39-28-11-9-27(10-12-28)38-29-3-1-13-35-23-29;1-37-13-15-38(16-14-37)25-6-4-24(5-7-25)34-31-32-20-23-19-26(27-3-2-12-39(27)28-8-11-33-36-28)30(41)40(29(23)35-31)21-22-9-17-42-18-10-22;1-3-20(2)39-29-23(16-27(30(39)40)28-9-4-21(18-34-28)22-10-13-33-17-22)19-35-31(38-29)37-25-7-5-24(6-8-25)36-26-11-14-32-15-12-26;;/h4-5,10-13,20-22,25,36H,2-3,6-9,14-19,23H2,1H3,(H,37,38,39);2-9,14-17,22,27,41H,10-13,18-20H2,1H3,(H,40,42,43);5-12,21-22,29,31,35-36,38H,1-4,13-20,23H2,(H,37,39,40);3-7,11,19-20,22H,2,8-10,12-18,21H2,1H3,(H,32,34,35);4-9,16,18-20,22,26,32-33,36H,3,10-15,17H2,1-2H3,(H,35,37,38);2*1H2.

What are the key properties of 8-butan-2-yl-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[1-(4H-pyrazol-3-yl)-2,3-dihydropyrrol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]-6-(4-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;dihydrate?

8-butan-2-yl-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[1-(4H-pyrazol-3-yl)-2,3-dihydropyrrol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]-6-(4-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;dihydrate has a molecular weight of 2971.64 g/mol, XLogP of 21.71, 38 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 8-butan-2-yl-2-[4-(piperidin-4-ylamino)anilino]-6-(5-pyrrolidin-3-yl-2-pyridinyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylphenyl)-2-(3-methyl-4-piperazin-1-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[1-(4H-pyrazol-3-yl)-2,3-dihydropyrrol-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-[2-(oxolan-3-yl)pyrimidin-5-yl]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-(2-morpholin-4-ylethyl)-2-[4-(piperidin-3-ylamino)anilino]-6-(4-pyrrolidin-2-ylphenyl)pyrido[2,3-d]pyrimidin-7-one;dihydrate is sourced from PubChem (CID 159217137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).