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

C134H136N28O5S3 — CID 157278226

IUPACN-[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
SMILESCc1cc(-c2cncc(-c3ccnc(Cc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)sn1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3ccns3)c2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3cnoc3C)c2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3cnsc3)c2)n1
InChIInChI=1S/C34H35N7O2.C34H35N7OS.2C33H33N7OS/c1-23-4-9-30(38-34(42)26-7-5-25(6-8-26)22-41-14-12-40(3)13-15-41)17-27(23)18-33-36-11-10-32(39-33)29-16-28(19-35-20-29)31-21-37-43-24(31)2;1-23-4-9-30(37-34(42)26-7-5-25(6-8-26)22-41-14-12-40(3)13-15-41)18-27(23)19-33-36-11-10-31(38-33)28-17-29(21-35-20-28)32-16-24(2)39-43-32;1-23-3-8-29(37-33(41)25-6-4-24(5-7-25)22-40-15-13-39(2)14-16-40)18-26(23)19-32-35-11-9-30(38-32)27-17-28(21-34-20-27)31-10-12-36-42-31;1-23-3-8-30(37-33(41)25-6-4-24(5-7-25)21-40-13-11-39(2)12-14-40)16-26(23)17-32-35-10-9-31(38-32)28-15-27(18-34-19-28)29-20-36-42-22-29/h4-11,16-17,19-21H,12-15,18,22H2,1-3H3,(H,38,42);4-11,16-18,20-21H,12-15,19,22H2,1-3H3,(H,37,42);3-12,17-18,20-21H,13-16,19,22H2,1-2H3,(H,37,41);3-10,15-16,18-20,22H,11-14,17,21H2,1-2H3,(H,37,41)
InChIKeyAZIWGGHYGALDJQ-UHFFFAOYSA-N
MW2314.95 g/mol
LogP22.39
Rot. Bonds32

About 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

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 (PubChem CID 157278226) has the molecular formula C134H136N28O5S3 and a molecular weight of 2314.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID157278226
Molecular FormulaC134H136N28O5S3
Molecular Weight2314.95 g/mol
Exact Mass2313.04
IUPAC NameN-[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
SMILESCc1cc(-c2cncc(-c3ccnc(Cc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)sn1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3ccns3)c2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3cnoc3C)c2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3cnsc3)c2)n1
InChIInChI=1S/C34H35N7O2.C34H35N7OS.2C33H33N7OS/c1-23-4-9-30(38-34(42)26-7-5-25(6-8-26)22-41-14-12-40(3)13-15-41)17-27(23)18-33-36-11-10-32(39-33)29-16-28(19-35-20-29)31-21-37-43-24(31)2;1-23-4-9-30(37-34(42)26-7-5-25(6-8-26)22-41-14-12-40(3)13-15-41)18-27(23)19-33-36-11-10-31(38-33)28-17-29(21-35-20-28)32-16-24(2)39-43-32;1-23-3-8-29(37-33(41)25-6-4-24(5-7-25)22-40-15-13-39(2)14-16-40)18-26(23)19-32-35-11-9-30(38-32)27-17-28(21-34-20-27)31-10-12-36-42-31;1-23-3-8-30(37-33(41)25-6-4-24(5-7-25)21-40-13-11-39(2)12-14-40)16-26(23)17-32-35-10-9-31(38-32)28-15-27(18-34-19-28)29-20-36-42-22-29/h4-11,16-17,19-21H,12-15,18,22H2,1-3H3,(H,38,42);4-11,16-18,20-21H,12-15,19,22H2,1-3H3,(H,37,42);3-12,17-18,20-21H,13-16,19,22H2,1-2H3,(H,37,41);3-10,15-16,18-20,22H,11-14,17,21H2,1-2H3,(H,37,41)
InChIKeyAZIWGGHYGALDJQ-UHFFFAOYSA-N
XLogP22.39
TPSA361.70 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms170
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002314.95
LogP ≤ 522.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cncc(-c3ccnc(Cc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)sn1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3ccns3)c2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3cnoc3C)c2)n1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3cnsc3)c2)n1.
What is the InChIKey of 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?
The InChIKey is AZIWGGHYGALDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N7O2.C34H35N7OS.2C33H33N7OS/c1-23-4-9-30(38-34(42)26-7-5-25(6-8-26)22-41-14-12-40(3)13-15-41)17-27(23)18-33-36-11-10-32(39-33)29-16-28(19-35-20-29)31-21-37-43-24(31)2;1-23-4-9-30(37-34(42)26-7-5-25(6-8-26)22-41-14-12-40(3)13-15-41)18-27(23)19-33-36-11-10-31(38-33)28-17-29(21-35-20-28)32-16-24(2)39-43-32;1-23-3-8-29(37-33(41)25-6-4-24(5-7-25)22-40-15-13-39(2)14-16-40)18-26(23)19-32-35-11-9-30(38-32)27-17-28(21-34-20-27)31-10-12-36-42-31;1-23-3-8-30(37-33(41)25-6-4-24(5-7-25)21-40-13-11-39(2)12-14-40)16-26(23)17-32-35-10-9-31(38-32)28-15-27(18-34-19-28)29-20-36-42-22-29/h4-11,16-17,19-21H,12-15,18,22H2,1-3H3,(H,38,42);4-11,16-18,20-21H,12-15,19,22H2,1-3H3,(H,37,42);3-12,17-18,20-21H,13-16,19,22H2,1-2H3,(H,37,41);3-10,15-16,18-20,22H,11-14,17,21H2,1-2H3,(H,37,41).
What are the key properties of 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?
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 has a molecular weight of 2314.95 g/mol, XLogP of 22.39, 32 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157278226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).