2-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone

C138H140N24O5S3 — CID 158736842

IUPAC2-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone
SMILESCc1cc(-c2cncc(-c3ccnc(Cc4cc(CC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)sn1.Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3ccns3)c2)n1.Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3cnoc3C)c2)n1.Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3cnsc3)c2)n1
InChIInChI=1S/C35H36N6O2.C35H36N6OS.2C34H34N6OS/c1-24-4-5-27(17-34(42)28-8-6-26(7-9-28)23-41-14-12-40(3)13-15-41)16-29(24)19-35-37-11-10-33(39-35)31-18-30(20-36-21-31)32-22-38-43-25(32)2;1-24-4-5-27(18-33(42)28-8-6-26(7-9-28)23-41-14-12-40(3)13-15-41)17-29(24)20-35-37-11-10-32(38-35)30-19-31(22-36-21-30)34-16-25(2)39-43-34;1-24-3-4-26(18-32(41)27-7-5-25(6-8-27)23-40-15-13-39(2)14-16-40)17-28(24)20-34-36-11-9-31(38-34)29-19-30(22-35-21-29)33-10-12-37-42-33;1-24-3-4-26(16-33(41)27-7-5-25(6-8-27)22-40-13-11-39(2)12-14-40)15-28(24)18-34-36-10-9-32(38-34)30-17-29(19-35-20-30)31-21-37-42-23-31/h4-11,16,18,20-22H,12-15,17,19,23H2,1-3H3;4-11,16-17,19,21-22H,12-15,18,20,23H2,1-3H3;3-12,17,19,21-22H,13-16,18,20,23H2,1-2H3;3-10,15,17,19-21,23H,11-14,16,18,22H2,1-2H3
InChIKeyILUBADWKQMTHJI-UHFFFAOYSA-N
MW2311.00 g/mol
LogP23.08
Rot. Bonds36

About 2-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone

2-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone (PubChem CID 158736842) has the molecular formula C138H140N24O5S3 and a molecular weight of 2311.00 g/mol. Its IUPAC name is 2-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name2-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone
PubChem CID158736842
Molecular FormulaC138H140N24O5S3
Molecular Weight2311.00 g/mol
Exact Mass2309.06
IUPAC Name2-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone
SMILESCc1cc(-c2cncc(-c3ccnc(Cc4cc(CC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)sn1.Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3ccns3)c2)n1.Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3cnoc3C)c2)n1.Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3cnsc3)c2)n1
InChIInChI=1S/C35H36N6O2.C35H36N6OS.2C34H34N6OS/c1-24-4-5-27(17-34(42)28-8-6-26(7-9-28)23-41-14-12-40(3)13-15-41)16-29(24)19-35-37-11-10-33(39-35)31-18-30(20-36-21-31)32-22-38-43-25(32)2;1-24-4-5-27(18-33(42)28-8-6-26(7-9-28)23-41-14-12-40(3)13-15-41)17-29(24)20-35-37-11-10-32(38-35)30-19-31(22-36-21-30)34-16-25(2)39-43-34;1-24-3-4-26(18-32(41)27-7-5-25(6-8-27)23-40-15-13-39(2)14-16-40)17-28(24)20-34-36-11-9-31(38-34)29-19-30(22-35-21-29)33-10-12-37-42-33;1-24-3-4-26(16-33(41)27-7-5-25(6-8-27)22-40-13-11-39(2)12-14-40)15-28(24)18-34-36-10-9-32(38-34)30-17-29(19-35-20-30)31-21-37-42-23-31/h4-11,16,18,20-22H,12-15,17,19,23H2,1-3H3;4-11,16-17,19,21-22H,12-15,18,20,23H2,1-3H3;3-12,17,19,21-22H,13-16,18,20,23H2,1-2H3;3-10,15,17,19-21,23H,11-14,16,18,22H2,1-2H3
InChIKeyILUBADWKQMTHJI-UHFFFAOYSA-N
XLogP23.08
TPSA313.58 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds36
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002311.00
LogP ≤ 523.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 2-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone with MolForge

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Related Compounds

N-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]benzamide;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]benzamide
CID 157278226
2-[4-Methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-2-pyridinyl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(4-methyl-2-pyridinyl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(5-methyl-2-pyridinyl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(6-methyl-2-pyridinyl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 158655081
tetrakis(iridium);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-4,6-diphenylpyrimidine;tris(3-(2H-naphthalen-2-id-1-yl)-1,2-benzoxazole);2-[2-(2H-naphthalen-2-id-1-yl)-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;3-phenyl-1,2-benzothiazole;4-propan-2-yl-2-(6-propan-2-yl-2H-naphthalen-2-id-1-yl)pyridine;2-(6-pyridin-4-yl-2H-naphthalen-2-id-1-yl)pyridine
CID 158719967
tetrakis(iridium);2-[3-(1-methylimidazol-2-yl)benzene-4-id-1-yl]-4,6-diphenyl-1,3,5-triazine;tris(3-(2H-naphthalen-2-id-1-yl)-1,2-benzoxazole);2-[2-(2H-naphthalen-2-id-1-yl)-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;3-phenyl-1,2-benzothiazole;4-propan-2-yl-2-(6-propan-2-yl-2H-naphthalen-2-id-1-yl)pyridine;2-(6-pyridin-4-yl-2H-naphthalen-2-id-1-yl)pyridine
CID 161210859
2-[4-Methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 158655082

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone?
The IUPAC name of 2-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone (CID 158736842) is 2-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 2-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone?
The canonical SMILES for 2-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone is Cc1cc(-c2cncc(-c3ccnc(Cc4cc(CC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)sn1.Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3ccns3)c2)n1.Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3cnoc3C)c2)n1.Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3cnsc3)c2)n1.
What is the InChIKey of 2-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone?
The InChIKey is ILUBADWKQMTHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N6O2.C35H36N6OS.2C34H34N6OS/c1-24-4-5-27(17-34(42)28-8-6-26(7-9-28)23-41-14-12-40(3)13-15-41)16-29(24)19-35-37-11-10-33(39-35)31-18-30(20-36-21-31)32-22-38-43-25(32)2;1-24-4-5-27(18-33(42)28-8-6-26(7-9-28)23-41-14-12-40(3)13-15-41)17-29(24)20-35-37-11-10-32(38-35)30-19-31(22-36-21-30)34-16-25(2)39-43-34;1-24-3-4-26(18-32(41)27-7-5-25(6-8-27)23-40-15-13-39(2)14-16-40)17-28(24)20-34-36-11-9-31(38-34)29-19-30(22-35-21-29)33-10-12-37-42-33;1-24-3-4-26(16-33(41)27-7-5-25(6-8-27)22-40-13-11-39(2)12-14-40)15-28(24)18-34-36-10-9-32(38-34)30-17-29(19-35-20-30)31-21-37-42-23-31/h4-11,16,18,20-22H,12-15,17,19,23H2,1-3H3;4-11,16-17,19,21-22H,12-15,18,20,23H2,1-3H3;3-12,17,19,21-22H,13-16,18,20,23H2,1-2H3;3-10,15,17,19-21,23H,11-14,16,18,22H2,1-2H3.
What are the key properties of 2-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone?
2-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone has a molecular weight of 2311.00 g/mol, XLogP of 23.08, 36 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-[[4-[5-(5-methyl-1,2-oxazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;2-[4-methyl-3-[[4-[5-(3-methyl-1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-4-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[4-methyl-3-[[4-[5-(1,2-thiazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 158736842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).