6-but-1-ynyl-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one

C111H115N23O5 — CID 157091285

IUPAC6-but-1-ynyl-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
SMILESCC#Cc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2ncccc2C)c1=O.CC#Cc1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2CCCC2)c1=O.CC#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2ncccc2C)c1=O.CCC#Cc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2ccccc2C)c1=O
InChIInChI=1S/C30H32N6O.C28H28N6O.C27H26N6O2.C26H29N5O/c1-4-5-9-23-19-25-20-31-30(32-26-11-13-27(14-12-26)35-17-15-34(3)16-18-35)33-28(25)36(29(23)37)21-24-10-7-6-8-22(24)2;1-3-6-21-15-23-17-31-28(32-24-11-9-20(10-12-24)22-8-5-13-29-16-22)33-26(23)34(27(21)35)18-25-19(2)7-4-14-30-25;1-3-5-20-14-21-15-30-27(31-22-9-7-19(8-10-22)24-16-28-12-13-35-24)32-25(21)33(26(20)34)17-23-18(2)6-4-11-29-23;1-2-5-20-16-21-17-28-26(30-24(21)31(25(20)32)23-6-3-4-7-23)29-22-10-8-18(9-11-22)19-12-14-27-15-13-19/h6-8,10-14,19-20H,4,15-18,21H2,1-3H3,(H,31,32,33);4,7,9-12,14-15,17,22,29H,5,8,13,16,18H2,1-2H3,(H,31,32,33);4,6-11,14-15,24,28H,12-13,16-17H2,1-2H3,(H,30,31,32);8-11,16-17,19,23,27H,3-4,6-7,12-15H2,1H3,(H,28,29,30)
InChIKeyAERQZBQQUHLSKR-UHFFFAOYSA-N
MW1851.30 g/mol
LogP16.34
Rot. Bonds19

About 6-but-1-ynyl-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one

6-but-1-ynyl-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 157091285) has the molecular formula C111H115N23O5 and a molecular weight of 1851.30 g/mol. Its IUPAC name is 6-but-1-ynyl-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-but-1-ynyl-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
PubChem CID157091285
Molecular FormulaC111H115N23O5
Molecular Weight1851.30 g/mol
Exact Mass1849.95
IUPAC Name6-but-1-ynyl-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
SMILESCC#Cc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2ncccc2C)c1=O.CC#Cc1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2CCCC2)c1=O.CC#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2ncccc2C)c1=O.CCC#Cc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2ccccc2C)c1=O
InChIInChI=1S/C30H32N6O.C28H28N6O.C27H26N6O2.C26H29N5O/c1-4-5-9-23-19-25-20-31-30(32-26-11-13-27(14-12-26)35-17-15-34(3)16-18-35)33-28(25)36(29(23)37)21-24-10-7-6-8-22(24)2;1-3-6-21-15-23-17-31-28(32-24-11-9-20(10-12-24)22-8-5-13-29-16-22)33-26(23)34(27(21)35)18-25-19(2)7-4-14-30-25;1-3-5-20-14-21-15-30-27(31-22-9-7-19(8-10-22)24-16-28-12-13-35-24)32-25(21)33(26(20)34)17-23-18(2)6-4-11-29-23;1-2-5-20-16-21-17-28-26(30-24(21)31(25(20)32)23-6-3-4-7-23)29-22-10-8-18(9-11-22)19-12-14-27-15-13-19/h6-8,10-14,19-20H,4,15-18,21H2,1-3H3,(H,31,32,33);4,7,9-12,14-15,17,22,29H,5,8,13,16,18H2,1-2H3,(H,31,32,33);4,6-11,14-15,24,28H,12-13,16-17H2,1-2H3,(H,30,31,32);8-11,16-17,19,23,27H,3-4,6-7,12-15H2,1H3,(H,28,29,30)
InChIKeyAERQZBQQUHLSKR-UHFFFAOYSA-N
XLogP16.34
TPSA316.82 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001851.30
LogP ≤ 516.34
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 6-but-1-ynyl-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

2-(4-Morpholin-2-ylanilino)-6-prop-1-ynyl-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 54761411
2-(4-Morpholin-2-ylanilino)-6-prop-1-ynyl-8-[[3-(trifluoromethyl)pyridin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 54761756
6-[2-(cyclopenten-1-yl)ethynyl]-8-(2-methoxyethyl)-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentylethynyl)-2-[4-(piperidin-4-ylamino)anilino]-8-[(4-pyrazol-1-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[(3-cyclopentylpyrazin-2-yl)methyl]-6-[2-(diethylamino)ethynyl]-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;N,N-dimethyl-3-[2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-7-oxo-8-[[5-(trifluoromethyl)pyridazin-4-yl]methyl]pyrido[2,3-d]pyrimidin-6-yl]prop-2-ynamide;molecular hydrogen
CID 157709699
6-(2-Cyclopropylethynyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[(3-phenyl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(2,2,2-trifluoroethyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[3-[2-(methylamino)ethyl]-4-pyridinyl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(4-pyridin-4-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 158268239
6-(2-Cyclopropylethynyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-[(3-phenyl-4-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-7-one;8-[[4-[2-(dimethylamino)ethyl]-3-pyridinyl]methyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;6-(2-ethoxyethynyl)-2-[4-(1-methylpiperidin-4-yl)oxyanilino]-8-[[3-(2,2,2-trifluoroethyl)pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3-methylbut-1-ynyl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-[(4-pyridin-4-ylpyrimidin-5-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 158464566
6-(4-Cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(4-cyclopropyl-2-fluorophenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-cyclopropyl-2-(trifluoromethyl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[2-(1-methylpyrrolidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 159255871
6-[2-(Diethylamino)ethynyl]-2-(4-morpholin-2-ylanilino)-8-[(2-phenylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methylimidazol-2-yl)ethynyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-[(3-pyridin-4-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-(2-methylphenyl)ethynyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-[[3-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)anilino]-6-[2-(oxan-2-yl)ethynyl]-8-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 159343912
2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(piperazin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[3-[2-[2-(4-piperidin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]pyrazin-2-yl]acetamide
CID 160180907
2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
CID 160554026
6-(5-Cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopropyl-3-fluoro-2-pyridinyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[5-cyclopropyl-3-(trifluoromethyl)-2-pyridinyl]-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 162127259
2-[2-[2-[2-[4-(1-acetylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(4-aminopiperidin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;N-methyl-2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-(4-morpholin-2-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[4-(piperazin-1-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
CID 162185830
8-Cyclopentyl-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one
CID 54761583

Frequently Asked Questions

What is the IUPAC name of 6-but-1-ynyl-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-but-1-ynyl-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one (CID 157091285) is 6-but-1-ynyl-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-but-1-ynyl-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-but-1-ynyl-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one is CC#Cc1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(Cc2ncccc2C)c1=O.CC#Cc1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2CCCC2)c1=O.CC#Cc1cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc2n(Cc2ncccc2C)c1=O.CCC#Cc1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2ccccc2C)c1=O.
What is the InChIKey of 6-but-1-ynyl-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AERQZBQQUHLSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O.C28H28N6O.C27H26N6O2.C26H29N5O/c1-4-5-9-23-19-25-20-31-30(32-26-11-13-27(14-12-26)35-17-15-34(3)16-18-35)33-28(25)36(29(23)37)21-24-10-7-6-8-22(24)2;1-3-6-21-15-23-17-31-28(32-24-11-9-20(10-12-24)22-8-5-13-29-16-22)33-26(23)34(27(21)35)18-25-19(2)7-4-14-30-25;1-3-5-20-14-21-15-30-27(31-22-9-7-19(8-10-22)24-16-28-12-13-35-24)32-25(21)33(26(20)34)17-23-18(2)6-4-11-29-23;1-2-5-20-16-21-17-28-26(30-24(21)31(25(20)32)23-6-3-4-7-23)29-22-10-8-18(9-11-22)19-12-14-27-15-13-19/h6-8,10-14,19-20H,4,15-18,21H2,1-3H3,(H,31,32,33);4,7,9-12,14-15,17,22,29H,5,8,13,16,18H2,1-2H3,(H,31,32,33);4,6-11,14-15,24,28H,12-13,16-17H2,1-2H3,(H,30,31,32);8-11,16-17,19,23,27H,3-4,6-7,12-15H2,1H3,(H,28,29,30).
What are the key properties of 6-but-1-ynyl-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one?
6-but-1-ynyl-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 1851.30 g/mol, XLogP of 16.34, 19 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-1-ynyl-8-[(2-methylphenyl)methyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-piperidin-4-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-morpholin-2-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one;8-[(3-methyl-2-pyridinyl)methyl]-2-(4-piperidin-3-ylanilino)-6-prop-1-ynylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 157091285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).