6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C118H124Cl2N22O6S4 — CID 158653213

IUPAC6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3cccs3)cc2Cl)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccs3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CCCC3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CCCCC3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C30H28ClN5O2S.C30H36N6OS.C29H26ClN5O2S.C29H34N6OS/c1-3-36-28-21(15-24(29(36)37)23-11-8-20(16-25(23)31)27-5-4-14-39-27)17-32-30(34-28)33-22-9-6-19(7-10-22)26-18-35(2)12-13-38-26;1-3-36-28-22(19-25(29(36)37)27-14-13-26(38-27)21-7-5-4-6-8-21)20-31-30(33-28)32-23-9-11-24(12-10-23)35-17-15-34(2)16-18-35;1-2-35-27-20(14-23(28(35)36)22-10-7-19(15-24(22)30)26-4-3-13-38-26)16-32-29(34-27)33-21-8-5-18(6-9-21)25-17-31-11-12-37-25;1-3-35-27-21(18-24(28(35)36)26-13-12-25(37-26)20-6-4-5-7-20)19-30-29(32-27)31-22-8-10-23(11-9-22)34-16-14-33(2)15-17-34/h4-11,14-17,26H,3,12-13,18H2,1-2H3,(H,32,33,34);9-14,19-21H,3-8,15-18H2,1-2H3,(H,31,32,33);3-10,13-16,25,31H,2,11-12,17H2,1H3,(H,32,33,34);8-13,18-20H,3-7,14-17H2,1-2H3,(H,30,31,32)
InChIKeyIBUQHXYHTKBREE-UHFFFAOYSA-N
MW2145.61 g/mol
LogP24.65
Rot. Bonds24

About 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158653213) has the molecular formula C118H124Cl2N22O6S4 and a molecular weight of 2145.61 g/mol. Its IUPAC name is 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID158653213
Molecular FormulaC118H124Cl2N22O6S4
Molecular Weight2145.61 g/mol
Exact Mass2142.83
IUPAC Name6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccc(-c3cccs3)cc2Cl)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccs3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CCCC3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CCCCC3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21
InChIInChI=1S/C30H28ClN5O2S.C30H36N6OS.C29H26ClN5O2S.C29H34N6OS/c1-3-36-28-21(15-24(29(36)37)23-11-8-20(16-25(23)31)27-5-4-14-39-27)17-32-30(34-28)33-22-9-6-19(7-10-22)26-18-35(2)12-13-38-26;1-3-36-28-22(19-25(29(36)37)27-14-13-26(38-27)21-7-5-4-6-8-21)20-31-30(33-28)32-23-9-11-24(12-10-23)35-17-15-34(2)16-18-35;1-2-35-27-20(14-23(28(35)36)22-10-7-19(15-24(22)30)26-4-3-13-38-26)16-32-29(34-27)33-21-8-5-18(6-9-21)25-17-31-11-12-37-25;1-3-35-27-21(18-24(28(35)36)26-13-12-25(37-26)20-6-4-5-7-20)19-30-29(32-27)31-22-8-10-23(11-9-22)34-16-14-33(2)15-17-34/h4-11,14-17,26H,3,12-13,18H2,1-2H3,(H,32,33,34);9-14,19-21H,3-8,15-18H2,1-2H3,(H,31,32,33);3-10,13-16,25,31H,2,11-12,17H2,1H3,(H,32,33,34);8-13,18-20H,3-7,14-17H2,1-2H3,(H,30,31,32)
InChIKeyIBUQHXYHTKBREE-UHFFFAOYSA-N
XLogP24.65
TPSA285.93 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002145.61
LogP ≤ 524.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 158653213) is 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3cccs3)cc2Cl)cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccs3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CCCC3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(C3CCCCC3)s2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.
What is the InChIKey of 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IBUQHXYHTKBREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN5O2S.C30H36N6OS.C29H26ClN5O2S.C29H34N6OS/c1-3-36-28-21(15-24(29(36)37)23-11-8-20(16-25(23)31)27-5-4-14-39-27)17-32-30(34-28)33-22-9-6-19(7-10-22)26-18-35(2)12-13-38-26;1-3-36-28-22(19-25(29(36)37)27-14-13-26(38-27)21-7-5-4-6-8-21)20-31-30(33-28)32-23-9-11-24(12-10-23)35-17-15-34(2)16-18-35;1-2-35-27-20(14-23(28(35)36)22-10-7-19(15-24(22)30)26-4-3-13-38-26)16-32-29(34-27)33-21-8-5-18(6-9-21)25-17-31-11-12-37-25;1-3-35-27-21(18-24(28(35)36)26-13-12-25(37-26)20-6-4-5-7-20)19-30-29(32-27)31-22-8-10-23(11-9-22)34-16-14-33(2)15-17-34/h4-11,14-17,26H,3,12-13,18H2,1-2H3,(H,32,33,34);9-14,19-21H,3-8,15-18H2,1-2H3,(H,31,32,33);3-10,13-16,25,31H,2,11-12,17H2,1H3,(H,32,33,34);8-13,18-20H,3-7,14-17H2,1-2H3,(H,30,31,32).
What are the key properties of 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?
6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2145.61 g/mol, XLogP of 24.65, 24 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-[4-(4-methylmorpholin-2-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-thiophen-2-ylphenyl)-8-ethyl-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclohexylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentylthiophen-2-yl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158653213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).