N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

C67H88ClF3N14O15S — CID 118227280

IUPACN-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c4cccc(-c5cc(Nc6ccc(OC(F)(F)F)cc6)ncn5)c4)nn3)CC2)n1
InChIInChI=1S/C67H88ClF3N14O15S/c1-50-5-3-8-57(68)63(50)80-65(87)59-46-73-66(101-59)79-61-45-62(77-51(2)76-61)84-16-14-83(15-17-84)18-21-99-48-55-47-85(82-81-55)19-22-89-24-26-91-28-30-93-32-34-95-36-38-97-40-42-98-41-39-96-37-35-94-33-31-92-29-27-90-25-23-88-20-13-72-64(86)53-7-4-6-52(43-53)58-44-60(75-49-74-58)78-54-9-11-56(12-10-54)100-67(69,70)71/h3-12,43-47,49H,13-42,48H2,1-2H3,(H,72,86)(H,80,87)(H,74,75,78)(H,73,76,77,79)
InChIKeyABVLUXQFKLAYRJ-UHFFFAOYSA-N
MW1454.04 g/mol
LogP7.84
Rot. Bonds51

About N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 118227280) has the molecular formula C67H88ClF3N14O15S and a molecular weight of 1454.04 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
PubChem CID118227280
Molecular FormulaC67H88ClF3N14O15S
Molecular Weight1454.04 g/mol
Exact Mass1452.59
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c4cccc(-c5cc(Nc6ccc(OC(F)(F)F)cc6)ncn5)c4)nn3)CC2)n1
InChIInChI=1S/C67H88ClF3N14O15S/c1-50-5-3-8-57(68)63(50)80-65(87)59-46-73-66(101-59)79-61-45-62(77-51(2)76-61)84-16-14-83(15-17-84)18-21-99-48-55-47-85(82-81-55)19-22-89-24-26-91-28-30-93-32-34-95-36-38-97-40-42-98-41-39-96-37-35-94-33-31-92-29-27-90-25-23-88-20-13-72-64(86)53-7-4-6-52(43-53)58-44-60(75-49-74-58)78-54-9-11-56(12-10-54)100-67(69,70)71/h3-12,43-47,49H,13-42,48H2,1-2H3,(H,72,86)(H,80,87)(H,74,75,78)(H,73,76,77,79)
InChIKeyABVLUXQFKLAYRJ-UHFFFAOYSA-N
XLogP7.84
TPSA303.89 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds51
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001454.04
LogP ≤ 57.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (CID 118227280) is N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCOCc3cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c4cccc(-c5cc(Nc6ccc(OC(F)(F)F)cc6)ncn5)c4)nn3)CC2)n1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is ABVLUXQFKLAYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H88ClF3N14O15S/c1-50-5-3-8-57(68)63(50)80-65(87)59-46-73-66(101-59)79-61-45-62(77-51(2)76-61)84-16-14-83(15-17-84)18-21-99-48-55-47-85(82-81-55)19-22-89-24-26-91-28-30-93-32-34-95-36-38-97-40-42-98-41-39-96-37-35-94-33-31-92-29-27-90-25-23-88-20-13-72-64(86)53-7-4-6-52(43-53)58-44-60(75-49-74-58)78-54-9-11-56(12-10-54)100-67(69,70)71/h3-12,43-47,49H,13-42,48H2,1-2H3,(H,72,86)(H,80,87)(H,74,75,78)(H,73,76,77,79).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 1454.04 g/mol, XLogP of 7.84, 51 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[4-[2-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118227280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).