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

C68H70N14O2S2 — CID 162239111

IUPACN-[4-methyl-3-[[4-[5-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[4-methyl-3-[[4-[5-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCc1cnc(-c2cncc(-c3ccnc(Cc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)s1.Cc1csc(-c2cncc(-c3ccnc(Cc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)n1
InChIInChI=1S/2C34H35N7OS/c1-23-4-9-30(38-33(42)26-7-5-25(6-8-26)21-41-14-12-40(3)13-15-41)17-27(23)18-32-36-11-10-31(39-32)28-16-29(20-35-19-28)34-37-24(2)22-43-34;1-23-4-9-30(38-33(42)26-7-5-25(6-8-26)22-41-14-12-40(3)13-15-41)17-27(23)18-32-36-11-10-31(39-32)28-16-29(21-35-20-28)34-37-19-24(2)43-34/h4-11,16-17,19-20,22H,12-15,18,21H2,1-3H3,(H,38,42);4-11,16-17,19-21H,12-15,18,22H2,1-3H3,(H,38,42)
InChIKeyZWLRJYDZCOKIFY-UHFFFAOYSA-N
MW1179.54 g/mol
LogP11.74
Rot. Bonds16

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

N-[4-methyl-3-[[4-[5-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[4-methyl-3-[[4-[5-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 162239111) has the molecular formula C68H70N14O2S2 and a molecular weight of 1179.54 g/mol. Its IUPAC name is N-[4-methyl-3-[[4-[5-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[4-methyl-3-[[4-[5-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[4-[5-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[4-methyl-3-[[4-[5-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID162239111
Molecular FormulaC68H70N14O2S2
Molecular Weight1179.54 g/mol
Exact Mass1178.52
IUPAC NameN-[4-methyl-3-[[4-[5-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[4-methyl-3-[[4-[5-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCc1cnc(-c2cncc(-c3ccnc(Cc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)s1.Cc1csc(-c2cncc(-c3ccnc(Cc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)n1
InChIInChI=1S/2C34H35N7OS/c1-23-4-9-30(38-33(42)26-7-5-25(6-8-26)21-41-14-12-40(3)13-15-41)17-27(23)18-32-36-11-10-31(39-32)28-16-29(20-35-19-28)34-37-24(2)22-43-34;1-23-4-9-30(38-33(42)26-7-5-25(6-8-26)22-41-14-12-40(3)13-15-41)17-27(23)18-32-36-11-10-31(39-32)28-16-29(21-35-20-28)34-37-19-24(2)43-34/h4-11,16-17,19-20,22H,12-15,18,21H2,1-3H3,(H,38,42);4-11,16-17,19-21H,12-15,18,22H2,1-3H3,(H,38,42)
InChIKeyZWLRJYDZCOKIFY-UHFFFAOYSA-N
XLogP11.74
TPSA174.28 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001179.54
LogP ≤ 511.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

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

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Related Compounds

N-(3-(5-(2-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2-phenylacetamide
CID 46886324
4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-N-[4-methyl-6-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-1,3,5-triazin-2-yl]benzamide
CID 164630301
US10906896, Cpd 8290
CID 122650687
US10906896, Cpd 8280
CID 122650689
US10906896, Cpd 8270
CID 122650690
N-[4-methyl-6-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-1,3,5-triazin-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 164626181
2,6-difluoro-N-[3-[5-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-yl-1,3-thiazol-4-yl]phenyl]benzamide
CID 58236844
2,6-difluoro-N-[3-[5-[2-[3-fluoro-4-(2-pyrrolidin-1-ylethyl)anilino]pyrimidin-4-yl]-2-propyl-1,3-thiazol-4-yl]phenyl]benzamide
CID 58236861
2-fluoro-N-[3-[5-[2-[3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 67006275
2-fluoro-N-[3-[5-[2-[3-[[4-(3-methoxypropyl)piperazin-1-yl]methyl]anilino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 67006565
N-[3-[2-(tert-butylsulfonylmethyl)-5-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide
CID 67104402
2,6-Difluoro-N-[3-(2-(1-methyl-4-piperidinyl)-5-{2-[(2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl)amino]-4-pyrimidinyl}-1,3-thiazol-4-yl)phenyl]benzamide
CID 67104574

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[4-[5-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[4-methyl-3-[[4-[5-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-[4-methyl-3-[[4-[5-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[4-methyl-3-[[4-[5-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 162239111) is N-[4-methyl-3-[[4-[5-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[4-methyl-3-[[4-[5-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[4-methyl-3-[[4-[5-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[4-methyl-3-[[4-[5-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-[4-methyl-3-[[4-[5-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[4-methyl-3-[[4-[5-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is Cc1cnc(-c2cncc(-c3ccnc(Cc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)s1.Cc1csc(-c2cncc(-c3ccnc(Cc4cc(NC(=O)c5ccc(CN6CCN(C)CC6)cc5)ccc4C)n3)c2)n1.
What is the InChIKey of N-[4-methyl-3-[[4-[5-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[4-methyl-3-[[4-[5-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is ZWLRJYDZCOKIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H35N7OS/c1-23-4-9-30(38-33(42)26-7-5-25(6-8-26)21-41-14-12-40(3)13-15-41)17-27(23)18-32-36-11-10-31(39-32)28-16-29(20-35-19-28)34-37-24(2)22-43-34;1-23-4-9-30(38-33(42)26-7-5-25(6-8-26)22-41-14-12-40(3)13-15-41)17-27(23)18-32-36-11-10-31(39-32)28-16-29(21-35-20-28)34-37-19-24(2)43-34/h4-11,16-17,19-20,22H,12-15,18,21H2,1-3H3,(H,38,42);4-11,16-17,19-21H,12-15,18,22H2,1-3H3,(H,38,42).
What are the key properties of N-[4-methyl-3-[[4-[5-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[4-methyl-3-[[4-[5-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-[4-methyl-3-[[4-[5-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[4-methyl-3-[[4-[5-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 1179.54 g/mol, XLogP of 11.74, 16 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[4-[5-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[4-methyl-3-[[4-[5-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrimidin-2-yl]methyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 162239111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).