6-[2-chloro-5-(dimethylamino)-4-phenylphenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C160H163Cl4N31O6 — CID 159914021

IUPAC6-[2-chloro-5-(dimethylamino)-4-phenylphenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(-c6cccc(C)c6)cc5Cl)c(=O)n(CC)c4n3)cc2)CC1.CCn1c(=O)c(-c2ccc(-c3ccc(C)nc3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3C)cc2Cl)cc2cnc(Nc3ccc(C(C)CCNC)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cn2)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CN(C)CCc1ccc(Nc2ncc3cc(-c4cc(N(C)C)c(-c5ccccc5)cc4Cl)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C35H36ClN5O.C32H31ClN6O.2C32H33ClN6O.C29H30N8O2/c1-4-40-17-15-25(16-18-40)24-9-12-29(13-10-24)38-35-37-22-28-20-31(34(42)41(5-2)33(28)39-35)30-14-11-27(21-32(30)36)26-8-6-7-23(3)19-26;1-3-39-30-25(19-36-32(38-30)37-26-9-6-21(7-10-26)22-12-14-34-15-13-22)16-28(31(39)40)27-11-8-23(17-29(27)33)24-5-4-20(2)35-18-24;1-37(2)16-15-21-11-13-24(14-12-21)35-32-34-20-23-17-27(31(40)39(5)30(23)36-32)26-19-29(38(3)4)25(18-28(26)33)22-9-7-6-8-10-22;1-5-39-30-24(19-36-32(38-30)37-25-11-8-22(9-12-25)20(2)14-16-34-4)17-28(31(39)40)27-13-10-23(18-29(27)33)26-7-6-15-35-21(26)3;1-4-37-27-22(15-24(28(37)38)25-10-7-21(16-30-25)26-32-18(2)39-35-26)17-31-29(34-27)33-23-8-5-19(6-9-23)20-11-13-36(3)14-12-20/h6-14,19-22,25H,4-5,15-18H2,1-3H3,(H,37,38,39);4-11,16-19,22,34H,3,12-15H2,1-2H3,(H,36,37,38);6-14,17-20H,15-16H2,1-5H3,(H,34,35,36);6-13,15,17-20,34H,5,14,16H2,1-4H3,(H,36,37,38);5-10,15-17,20H,4,11-14H2,1-3H3,(H,31,33,34)
InChIKeyNXNXIYNGHWONNH-UHFFFAOYSA-N
MW2758.09 g/mol
LogP32.74
Rot. Bonds36

About 6-[2-chloro-5-(dimethylamino)-4-phenylphenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-5-(dimethylamino)-4-phenylphenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159914021) has the molecular formula C160H163Cl4N31O6 and a molecular weight of 2758.09 g/mol. Its IUPAC name is 6-[2-chloro-5-(dimethylamino)-4-phenylphenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-5-(dimethylamino)-4-phenylphenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID159914021
Molecular FormulaC160H163Cl4N31O6
Molecular Weight2758.09 g/mol
Exact Mass2754.22
IUPAC Name6-[2-chloro-5-(dimethylamino)-4-phenylphenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(-c6cccc(C)c6)cc5Cl)c(=O)n(CC)c4n3)cc2)CC1.CCn1c(=O)c(-c2ccc(-c3ccc(C)nc3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3C)cc2Cl)cc2cnc(Nc3ccc(C(C)CCNC)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cn2)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CN(C)CCc1ccc(Nc2ncc3cc(-c4cc(N(C)C)c(-c5ccccc5)cc4Cl)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C35H36ClN5O.C32H31ClN6O.2C32H33ClN6O.C29H30N8O2/c1-4-40-17-15-25(16-18-40)24-9-12-29(13-10-24)38-35-37-22-28-20-31(34(42)41(5-2)33(28)39-35)30-14-11-27(21-32(30)36)26-8-6-7-23(3)19-26;1-3-39-30-25(19-36-32(38-30)37-26-9-6-21(7-10-26)22-12-14-34-15-13-22)16-28(31(39)40)27-11-8-23(17-29(27)33)24-5-4-20(2)35-18-24;1-37(2)16-15-21-11-13-24(14-12-21)35-32-34-20-23-17-27(31(40)39(5)30(23)36-32)26-19-29(38(3)4)25(18-28(26)33)22-9-7-6-8-10-22;1-5-39-30-24(19-36-32(38-30)37-25-11-8-22(9-12-25)20(2)14-16-34-4)17-28(31(39)40)27-13-10-23(18-29(27)33)26-7-6-15-35-21(26)3;1-4-37-27-22(15-24(28(37)38)25-10-7-21(16-30-25)26-32-18(2)39-35-26)17-31-29(34-27)33-23-8-5-19(6-9-23)20-11-13-36(3)14-12-20/h6-14,19-22,25H,4-5,15-18H2,1-3H3,(H,37,38,39);4-11,16-19,22,34H,3,12-15H2,1-2H3,(H,36,37,38);6-14,17-20H,15-16H2,1-5H3,(H,34,35,36);6-13,15,17-20,34H,5,14,16H2,1-4H3,(H,36,37,38);5-10,15-17,20H,4,11-14H2,1-3H3,(H,31,33,34)
InChIKeyNXNXIYNGHWONNH-UHFFFAOYSA-N
XLogP32.74
TPSA413.66 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds36
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002758.09
LogP ≤ 532.74
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze 6-[2-chloro-5-(dimethylamino)-4-phenylphenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

6-[2-chloro-4-(2-fluorophenyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[3-fluoro-4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(3-fluoro-4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 160812599
6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 89474122
8-ethyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-7-one
CID 89474107
6-[2-chloro-4-(2-fluoro-3-pyridinyl)phenyl]-8-ethyl-2-[4-(2-morpholin-4-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-(2-methylphenyl)phenyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 160957447
6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89473909
6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one
CID 89474062
6-[2-chloro-5-fluoro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89474073
6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 86721955
6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89473911
6-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 51354239
6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 71249747
6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-methyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 89474124

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-5-(dimethylamino)-4-phenylphenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-5-(dimethylamino)-4-phenylphenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 159914021) is 6-[2-chloro-5-(dimethylamino)-4-phenylphenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-5-(dimethylamino)-4-phenylphenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-5-(dimethylamino)-4-phenylphenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CCN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(-c6cccc(C)c6)cc5Cl)c(=O)n(CC)c4n3)cc2)CC1.CCn1c(=O)c(-c2ccc(-c3ccc(C)nc3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3C)cc2Cl)cc2cnc(Nc3ccc(C(C)CCNC)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cn2)cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc21.CN(C)CCc1ccc(Nc2ncc3cc(-c4cc(N(C)C)c(-c5ccccc5)cc4Cl)c(=O)n(C)c3n2)cc1.
What is the InChIKey of 6-[2-chloro-5-(dimethylamino)-4-phenylphenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NXNXIYNGHWONNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36ClN5O.C32H31ClN6O.2C32H33ClN6O.C29H30N8O2/c1-4-40-17-15-25(16-18-40)24-9-12-29(13-10-24)38-35-37-22-28-20-31(34(42)41(5-2)33(28)39-35)30-14-11-27(21-32(30)36)26-8-6-7-23(3)19-26;1-3-39-30-25(19-36-32(38-30)37-26-9-6-21(7-10-26)22-12-14-34-15-13-22)16-28(31(39)40)27-11-8-23(17-29(27)33)24-5-4-20(2)35-18-24;1-37(2)16-15-21-11-13-24(14-12-21)35-32-34-20-23-17-27(31(40)39(5)30(23)36-32)26-19-29(38(3)4)25(18-28(26)33)22-9-7-6-8-10-22;1-5-39-30-24(19-36-32(38-30)37-25-11-8-22(9-12-25)20(2)14-16-34-4)17-28(31(39)40)27-13-10-23(18-29(27)33)26-7-6-15-35-21(26)3;1-4-37-27-22(15-24(28(37)38)25-10-7-21(16-30-25)26-32-18(2)39-35-26)17-31-29(34-27)33-23-8-5-19(6-9-23)20-11-13-36(3)14-12-20/h6-14,19-22,25H,4-5,15-18H2,1-3H3,(H,37,38,39);4-11,16-19,22,34H,3,12-15H2,1-2H3,(H,36,37,38);6-14,17-20H,15-16H2,1-5H3,(H,34,35,36);6-13,15,17-20,34H,5,14,16H2,1-4H3,(H,36,37,38);5-10,15-17,20H,4,11-14H2,1-3H3,(H,31,33,34).
What are the key properties of 6-[2-chloro-5-(dimethylamino)-4-phenylphenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-5-(dimethylamino)-4-phenylphenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2758.09 g/mol, XLogP of 32.74, 36 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-5-(dimethylamino)-4-phenylphenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methylphenyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-[4-(methylamino)butan-2-yl]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159914021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).