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

C148H152N24O4 — CID 160625853

IUPAC2-[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
SMILESCc1ccc(-c2cncc(-c3ccnc(Cc4cc(CC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)nc1.Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3ncccc3C)c2)n1.Cc1cccc(-c2cncc(-c3ccnc(Cc4cc(CC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)n1.Cc1ccnc(-c2cncc(-c3ccnc(Cc4cc(CC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)c1
InChIInChI=1S/4C37H38N6O/c1-26-4-11-34(40-22-26)32-20-33(24-38-23-32)35-12-13-39-37(41-35)21-31-18-29(6-5-27(31)2)19-36(44)30-9-7-28(8-10-30)25-43-16-14-42(3)15-17-43;1-26-10-12-39-35(18-26)33-21-32(23-38-24-33)34-11-13-40-37(41-34)22-31-19-29(5-4-27(31)2)20-36(44)30-8-6-28(7-9-30)25-43-16-14-42(3)15-17-43;1-26-6-7-29(20-35(44)30-10-8-28(9-11-30)25-43-17-15-42(3)16-18-43)19-31(26)22-36-39-14-12-34(41-36)32-21-33(24-38-23-32)37-27(2)5-4-13-40-37;1-26-7-8-29(20-36(44)30-11-9-28(10-12-30)25-43-17-15-42(3)16-18-43)19-31(26)22-37-39-14-13-35(41-37)33-21-32(23-38-24-33)34-6-4-5-27(2)40-34/h4-13,18,20,22-24H,14-17,19,21,25H2,1-3H3;4-13,18-19,21,23-24H,14-17,20,22,25H2,1-3H3;2*4-14,19,21,23-24H,15-18,20,22,25H2,1-3H3
InChIKeyRHHCRAFLRCXAAJ-UHFFFAOYSA-N
MW2331.01 g/mol
LogP23.92
Rot. Bonds36

About 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

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 (PubChem CID 160625853) has the molecular formula C148H152N24O4 and a molecular weight of 2331.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID160625853
Molecular FormulaC148H152N24O4
Molecular Weight2331.01 g/mol
Exact Mass2329.24
IUPAC Name2-[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
SMILESCc1ccc(-c2cncc(-c3ccnc(Cc4cc(CC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)nc1.Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3ncccc3C)c2)n1.Cc1cccc(-c2cncc(-c3ccnc(Cc4cc(CC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)n1.Cc1ccnc(-c2cncc(-c3ccnc(Cc4cc(CC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)c1
InChIInChI=1S/4C37H38N6O/c1-26-4-11-34(40-22-26)32-20-33(24-38-23-32)35-12-13-39-37(41-35)21-31-18-29(6-5-27(31)2)19-36(44)30-9-7-28(8-10-30)25-43-16-14-42(3)15-17-43;1-26-10-12-39-35(18-26)33-21-32(23-38-24-33)34-11-13-40-37(41-34)22-31-19-29(5-4-27(31)2)20-36(44)30-8-6-28(7-9-30)25-43-16-14-42(3)15-17-43;1-26-6-7-29(20-35(44)30-10-8-28(9-11-30)25-43-17-15-42(3)16-18-43)19-31(26)22-36-39-14-12-34(41-36)32-21-33(24-38-23-32)37-27(2)5-4-13-40-37;1-26-7-8-29(20-36(44)30-11-9-28(10-12-30)25-43-17-15-42(3)16-18-43)19-31(26)22-37-39-14-13-35(41-37)33-21-32(23-38-24-33)34-6-4-5-27(2)40-34/h4-13,18,20,22-24H,14-17,19,21,25H2,1-3H3;4-13,18-19,21,23-24H,14-17,20,22,25H2,1-3H3;2*4-14,19,21,23-24H,15-18,20,22,25H2,1-3H3
InChIKeyRHHCRAFLRCXAAJ-UHFFFAOYSA-N
XLogP23.92
TPSA300.44 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002331.01
LogP ≤ 523.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 160625853) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2cncc(-c3ccnc(Cc4cc(CC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)nc1.Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cc1nccc(-c2cncc(-c3ncccc3C)c2)n1.Cc1cccc(-c2cncc(-c3ccnc(Cc4cc(CC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)n1.Cc1ccnc(-c2cncc(-c3ccnc(Cc4cc(CC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)c1.
What is the InChIKey of 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?
The InChIKey is RHHCRAFLRCXAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C37H38N6O/c1-26-4-11-34(40-22-26)32-20-33(24-38-23-32)35-12-13-39-37(41-35)21-31-18-29(6-5-27(31)2)19-36(44)30-9-7-28(8-10-30)25-43-16-14-42(3)15-17-43;1-26-10-12-39-35(18-26)33-21-32(23-38-24-33)34-11-13-40-37(41-34)22-31-19-29(5-4-27(31)2)20-36(44)30-8-6-28(7-9-30)25-43-16-14-42(3)15-17-43;1-26-6-7-29(20-35(44)30-10-8-28(9-11-30)25-43-17-15-42(3)16-18-43)19-31(26)22-36-39-14-12-34(41-36)32-21-33(24-38-23-32)37-27(2)5-4-13-40-37;1-26-7-8-29(20-36(44)30-11-9-28(10-12-30)25-43-17-15-42(3)16-18-43)19-31(26)22-37-39-14-13-35(41-37)33-21-32(23-38-24-33)34-6-4-5-27(2)40-34/h4-13,18,20,22-24H,14-17,19,21,25H2,1-3H3;4-13,18-19,21,23-24H,14-17,20,22,25H2,1-3H3;2*4-14,19,21,23-24H,15-18,20,22,25H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2331.01 g/mol, XLogP of 23.92, 36 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160625853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).