N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane;palladium;tetrakis(triphenylphosphane)

C124H121ClF6N14O3P4Pd — CID 159589222

IUPACN-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane;palladium;tetrakis(triphenylphosphane)
SMILESC.C.CCC(=O)Nc1cnc(-c2c(OC)ncnc2C2CC2)nc1NCc1ccc(-c2nc(C(F)(F)F)cn2C(C)C)cc1.CCC(=O)Nc1cnc(Cl)nc1NCc1ccc(-c2nc(C(F)(F)F)cn2C(C)C)cc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H31F3N8O2.C21H22ClF3N6O.4C18H15P.2CH4.Pd/c1-5-22(41)37-20-13-34-26(23-24(18-10-11-18)35-15-36-28(23)42-4)39-25(20)33-12-17-6-8-19(9-7-17)27-38-21(29(30,31)32)14-40(27)16(2)3;1-4-17(32)28-15-10-27-20(22)30-18(15)26-9-13-5-7-14(8-6-13)19-29-16(21(23,24)25)11-31(19)12(2)3;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h6-9,13-16,18H,5,10-12H2,1-4H3,(H,37,41)(H,33,34,39);5-8,10-12H,4,9H2,1-3H3,(H,28,32)(H,26,27,30);4*1-15H;2*1H4;
InChIKeyMKAGANUIQSXPOE-UHFFFAOYSA-N
MW2235.18 g/mol
LogP26.85
Rot. Bonds29

About N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane;palladium;tetrakis(triphenylphosphane)

N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane;palladium;tetrakis(triphenylphosphane) (PubChem CID 159589222) has the molecular formula C124H121ClF6N14O3P4Pd and a molecular weight of 2235.18 g/mol. Its IUPAC name is N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound NameN-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane;palladium;tetrakis(triphenylphosphane)
PubChem CID159589222
Molecular FormulaC124H121ClF6N14O3P4Pd
Molecular Weight2235.18 g/mol
Exact Mass2232.73
IUPAC NameN-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane;palladium;tetrakis(triphenylphosphane)
SMILESC.C.CCC(=O)Nc1cnc(-c2c(OC)ncnc2C2CC2)nc1NCc1ccc(-c2nc(C(F)(F)F)cn2C(C)C)cc1.CCC(=O)Nc1cnc(Cl)nc1NCc1ccc(-c2nc(C(F)(F)F)cn2C(C)C)cc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H31F3N8O2.C21H22ClF3N6O.4C18H15P.2CH4.Pd/c1-5-22(41)37-20-13-34-26(23-24(18-10-11-18)35-15-36-28(23)42-4)39-25(20)33-12-17-6-8-19(9-7-17)27-38-21(29(30,31)32)14-40(27)16(2)3;1-4-17(32)28-15-10-27-20(22)30-18(15)26-9-13-5-7-14(8-6-13)19-29-16(21(23,24)25)11-31(19)12(2)3;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h6-9,13-16,18H,5,10-12H2,1-4H3,(H,37,41)(H,33,34,39);5-8,10-12H,4,9H2,1-3H3,(H,28,32)(H,26,27,30);4*1-15H;2*1H4;
InChIKeyMKAGANUIQSXPOE-UHFFFAOYSA-N
XLogP26.85
TPSA204.47 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002235.18
LogP ≤ 526.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane;palladium;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine
CID 165135384
Preparation of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-8-(4-(1-isopropyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7,8-dihydropteridin-6(5H)-one
CID 165400902
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5,7-dimethyl-7H-pteridin-6-one
CID 165400903
Preparation of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-(3-fluoro-4-(1-cyclopropyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-5-cyclopropyl-7,8-dihydropteridin-6(5H)-one
CID 165400909
Preparation of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-8-(3,5-difluoro-4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7,8-dihydropteridin-6(5H)-one
CID 165400910
Preparation of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(2,2,2-trifluoroethyl)-8-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7,8-dihydropteridin-6(5H)-one
CID 165400917
Preparation of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5,7-dimethyl-8-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7,8-dihydropteridin-6(5H)-one
CID 165400918
Preparation of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-methyl-8-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)pteridin-7(8H)-one
CID 165400921
Preparation of 2(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-((4-(1-(difluoromethyl)-4-(trifluoromethyl)-1H-imidazol-2-yl)phenyl)methyl)-5-methyl-7,8-dihydropteridin-6(5H)-one
CID 165400932
Preparation of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-ethyl-8-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7,8-dihydropteridin-6(5H)-one
CID 165400946
Preparation of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-8-(4-(1-ethyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7,8-dihydropteridin-6(5H)-one
CID 165400947
Preparation of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-cyclopropyl-8-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7,8-dihydropteridin-6(5H)-one
CID 165400972

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane;palladium;tetrakis(triphenylphosphane) (CID 159589222) is N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane;palladium;tetrakis(triphenylphosphane) is C.C.CCC(=O)Nc1cnc(-c2c(OC)ncnc2C2CC2)nc1NCc1ccc(-c2nc(C(F)(F)F)cn2C(C)C)cc1.CCC(=O)Nc1cnc(Cl)nc1NCc1ccc(-c2nc(C(F)(F)F)cn2C(C)C)cc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane;palladium;tetrakis(triphenylphosphane)?
The InChIKey is MKAGANUIQSXPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N8O2.C21H22ClF3N6O.4C18H15P.2CH4.Pd/c1-5-22(41)37-20-13-34-26(23-24(18-10-11-18)35-15-36-28(23)42-4)39-25(20)33-12-17-6-8-19(9-7-17)27-38-21(29(30,31)32)14-40(27)16(2)3;1-4-17(32)28-15-10-27-20(22)30-18(15)26-9-13-5-7-14(8-6-13)19-29-16(21(23,24)25)11-31(19)12(2)3;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h6-9,13-16,18H,5,10-12H2,1-4H3,(H,37,41)(H,33,34,39);5-8,10-12H,4,9H2,1-3H3,(H,28,32)(H,26,27,30);4*1-15H;2*1H4;.
What are the key properties of N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane;palladium;tetrakis(triphenylphosphane)?
N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2235.18 g/mol, XLogP of 26.85, 29 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159589222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).