1-cyclopropyl-2-[4-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone

C138H166N40O5S8 — CID 159585441

IUPAC1-cyclopropyl-2-[4-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
SMILESCC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(CCN4CCCC4)CC3)n2)=NC1.CC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4cccnc4)CC3)n2)=NC1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(CCN(C)C)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(CCN4CCCC4)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4cccnc4)CC3)n2)s1
InChIInChI=1S/C29H38N8OS.C28H36N8OS2.C28H30N8OS.C27H28N8OS2.C26H34N8OS2/c1-21-18-26(30-20-21)31-27-32-28(37-16-14-36(15-17-37)13-12-35-10-2-3-11-35)34-29(33-27)39-24-8-4-22(5-9-24)19-25(38)23-6-7-23;1-20-19-29-27(38-20)31-25-30-26(36-16-14-35(15-17-36)13-12-34-10-2-3-11-34)33-28(32-25)39-23-8-4-21(5-9-23)18-24(37)22-6-7-22;1-19-15-25(30-17-19)31-26-32-27(36-13-11-35(12-14-36)22-3-2-10-29-18-22)34-28(33-26)38-23-8-4-20(5-9-23)16-24(37)21-6-7-21;1-18-16-29-26(37-18)31-24-30-25(35-13-11-34(12-14-35)21-3-2-10-28-17-21)33-27(32-24)38-22-8-4-19(5-9-22)15-23(36)20-6-7-20;1-18-17-27-25(36-18)29-23-28-24(34-14-12-33(13-15-34)11-10-32(2)3)31-26(30-23)37-21-8-4-19(5-9-21)16-22(35)20-6-7-20/h4-5,8-9,18,23H,2-3,6-7,10-17,19-20H2,1H3,(H,30,31,32,33,34);4-5,8-9,19,22H,2-3,6-7,10-18H2,1H3,(H,29,30,31,32,33);2-5,8-10,15,18,21H,6-7,11-14,16-17H2,1H3,(H,30,31,32,33,34);2-5,8-10,16-17,20H,6-7,11-15H2,1H3,(H,29,30,31,32,33);4-5,8-9,17,20H,6-7,10-16H2,1-3H3,(H,27,28,29,30,31)
InChIKeyMJOAHEAMNMOXLS-UHFFFAOYSA-N
MW2721.66 g/mol
LogP20.35
Rot. Bonds49

About 1-cyclopropyl-2-[4-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone

1-cyclopropyl-2-[4-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone (PubChem CID 159585441) has the molecular formula C138H166N40O5S8 and a molecular weight of 2721.66 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
PubChem CID159585441
Molecular FormulaC138H166N40O5S8
Molecular Weight2721.66 g/mol
Exact Mass2719.17
IUPAC Name1-cyclopropyl-2-[4-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
SMILESCC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(CCN4CCCC4)CC3)n2)=NC1.CC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4cccnc4)CC3)n2)=NC1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(CCN(C)C)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(CCN4CCCC4)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4cccnc4)CC3)n2)s1
InChIInChI=1S/C29H38N8OS.C28H36N8OS2.C28H30N8OS.C27H28N8OS2.C26H34N8OS2/c1-21-18-26(30-20-21)31-27-32-28(37-16-14-36(15-17-37)13-12-35-10-2-3-11-35)34-29(33-27)39-24-8-4-22(5-9-24)19-25(38)23-6-7-23;1-20-19-29-27(38-20)31-25-30-26(36-16-14-35(15-17-36)13-12-34-10-2-3-11-34)33-28(32-25)39-23-8-4-21(5-9-23)18-24(37)22-6-7-22;1-19-15-25(30-17-19)31-26-32-27(36-13-11-35(12-14-36)22-3-2-10-29-18-22)34-28(33-26)38-23-8-4-20(5-9-23)16-24(37)21-6-7-21;1-18-16-29-26(37-18)31-24-30-25(35-13-11-34(12-14-35)21-3-2-10-28-17-21)33-27(32-24)38-22-8-4-19(5-9-22)15-23(36)20-6-7-20;1-18-17-27-25(36-18)29-23-28-24(34-14-12-33(13-15-34)11-10-32(2)3)31-26(30-23)37-21-8-4-19(5-9-21)16-22(35)20-6-7-20/h4-5,8-9,18,23H,2-3,6-7,10-17,19-20H2,1H3,(H,30,31,32,33,34);4-5,8-9,19,22H,2-3,6-7,10-18H2,1H3,(H,29,30,31,32,33);2-5,8-10,15,18,21H,6-7,11-14,16-17H2,1H3,(H,30,31,32,33,34);2-5,8-10,16-17,20H,6-7,11-15H2,1H3,(H,29,30,31,32,33);4-5,8-9,17,20H,6-7,10-16H2,1-3H3,(H,27,28,29,30,31)
InChIKeyMJOAHEAMNMOXLS-UHFFFAOYSA-N
XLogP20.35
TPSA470.14 Ų
H-Bond Donors5
H-Bond Acceptors53
Rotatable Bonds49
Heavy Atoms191
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002721.66
LogP ≤ 520.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1053

Analyze 1-cyclopropyl-2-[4-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[4-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone (CID 159585441) is 1-cyclopropyl-2-[4-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[4-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[4-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone is CC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(CCN4CCCC4)CC3)n2)=NC1.CC1=CC(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4cccnc4)CC3)n2)=NC1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(CCN(C)C)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(CCN4CCCC4)CC3)n2)s1.Cc1cnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(c4cccnc4)CC3)n2)s1.
What is the InChIKey of 1-cyclopropyl-2-[4-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?
The InChIKey is MJOAHEAMNMOXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N8OS.C28H36N8OS2.C28H30N8OS.C27H28N8OS2.C26H34N8OS2/c1-21-18-26(30-20-21)31-27-32-28(37-16-14-36(15-17-37)13-12-35-10-2-3-11-35)34-29(33-27)39-24-8-4-22(5-9-24)19-25(38)23-6-7-23;1-20-19-29-27(38-20)31-25-30-26(36-16-14-35(15-17-36)13-12-34-10-2-3-11-34)33-28(32-25)39-23-8-4-21(5-9-23)18-24(37)22-6-7-22;1-19-15-25(30-17-19)31-26-32-27(36-13-11-35(12-14-36)22-3-2-10-29-18-22)34-28(33-26)38-23-8-4-20(5-9-23)16-24(37)21-6-7-21;1-18-16-29-26(37-18)31-24-30-25(35-13-11-34(12-14-35)21-3-2-10-28-17-21)33-27(32-24)38-22-8-4-19(5-9-22)15-23(36)20-6-7-20;1-18-17-27-25(36-18)29-23-28-24(34-14-12-33(13-15-34)11-10-32(2)3)31-26(30-23)37-21-8-4-19(5-9-21)16-22(35)20-6-7-20/h4-5,8-9,18,23H,2-3,6-7,10-17,19-20H2,1H3,(H,30,31,32,33,34);4-5,8-9,19,22H,2-3,6-7,10-18H2,1H3,(H,29,30,31,32,33);2-5,8-10,15,18,21H,6-7,11-14,16-17H2,1H3,(H,30,31,32,33,34);2-5,8-10,16-17,20H,6-7,11-15H2,1H3,(H,29,30,31,32,33);4-5,8-9,17,20H,6-7,10-16H2,1-3H3,(H,27,28,29,30,31).
What are the key properties of 1-cyclopropyl-2-[4-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?
1-cyclopropyl-2-[4-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone has a molecular weight of 2721.66 g/mol, XLogP of 20.35, 49 rotatable bonds, 5 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-[[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(3-methyl-2H-pyrrol-5-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-pyridin-3-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone is sourced from PubChem (CID 159585441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).