acetic acid;N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-chloro-4-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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;propanoyl chloride;tetrakis(triphenylphosphane)

C178H185Cl3F12N28O7P4Pd — CID 157435097

IUPACacetic acid;N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-chloro-4-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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;propanoyl chloride;tetrakis(triphenylphosphane)
SMILESC.C.C.C.CC(=O)O.CC(C)n1cc(C(F)(F)F)nc1-c1ccc(CNc2nc(Cl)ncc2N)cc1.CCC(=O)Cl.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.CCc1nc2cnc(-c3c(OC)ncnc3C3CC3)nc2n1Cc1ccc(-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.C29H29F3N8O.C21H22ClF3N6O.C18H18ClF3N6.4C18H15P.C3H5ClO.C2H4O2.4CH4.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;1-5-22-36-20-12-33-25(23-24(18-10-11-18)34-15-35-28(23)41-4)38-27(20)40(22)13-17-6-8-19(9-7-17)26-37-21(29(30,31)32)14-39(26)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;1-10(2)28-9-14(18(20,21)22)26-16(28)12-5-3-11(4-6-12)7-24-15-13(23)8-25-17(19)27-15;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3(4)5;1-2(3)4;;;;;/h6-9,13-16,18H,5,10-12H2,1-4H3,(H,37,41)(H,33,34,39);6-9,12,14-16,18H,5,10-11,13H2,1-4H3;5-8,10-12H,4,9H2,1-3H3,(H,28,32)(H,26,27,30);3-6,8-10H,7,23H2,1-2H3,(H,24,25,27);4*1-15H;2H2,1H3;1H3,(H,3,4);4*1H4;
InChIKeyATUFKWIRTVUOMB-UHFFFAOYSA-N
MW3393.28 g/mol
LogP40.40
Rot. Bonds43

About acetic acid;N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-chloro-4-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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;propanoyl chloride;tetrakis(triphenylphosphane)

acetic acid;N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-chloro-4-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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;propanoyl chloride;tetrakis(triphenylphosphane) (PubChem CID 157435097) has the molecular formula C178H185Cl3F12N28O7P4Pd and a molecular weight of 3393.28 g/mol. Its IUPAC name is acetic acid;N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-chloro-4-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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;propanoyl chloride;tetrakis(triphenylphosphane).

Molecular Properties

Compound Nameacetic acid;N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-chloro-4-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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;propanoyl chloride;tetrakis(triphenylphosphane)
PubChem CID157435097
Molecular FormulaC178H185Cl3F12N28O7P4Pd
Molecular Weight3393.28 g/mol
Exact Mass3389.18
IUPAC Nameacetic acid;N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-chloro-4-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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;propanoyl chloride;tetrakis(triphenylphosphane)
SMILESC.C.C.C.CC(=O)O.CC(C)n1cc(C(F)(F)F)nc1-c1ccc(CNc2nc(Cl)ncc2N)cc1.CCC(=O)Cl.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.CCc1nc2cnc(-c3c(OC)ncnc3C3CC3)nc2n1Cc1ccc(-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.C29H29F3N8O.C21H22ClF3N6O.C18H18ClF3N6.4C18H15P.C3H5ClO.C2H4O2.4CH4.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;1-5-22-36-20-12-33-25(23-24(18-10-11-18)34-15-35-28(23)41-4)38-27(20)40(22)13-17-6-8-19(9-7-17)26-37-21(29(30,31)32)14-39(26)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;1-10(2)28-9-14(18(20,21)22)26-16(28)12-5-3-11(4-6-12)7-24-15-13(23)8-25-17(19)27-15;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3(4)5;1-2(3)4;;;;;/h6-9,13-16,18H,5,10-12H2,1-4H3,(H,37,41)(H,33,34,39);6-9,12,14-16,18H,5,10-11,13H2,1-4H3;5-8,10-12H,4,9H2,1-3H3,(H,28,32)(H,26,27,30);3-6,8-10H,7,23H2,1-2H3,(H,24,25,27);4*1-15H;2H2,1H3;1H3,(H,3,4);4*1H4;
InChIKeyATUFKWIRTVUOMB-UHFFFAOYSA-N
XLogP40.40
TPSA436.92 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds43
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003393.28
LogP ≤ 540.40
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze acetic acid;N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-chloro-4-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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;propanoyl chloride;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

acetic acid;N-[2-chloro-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]purine;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane
CID 157819967
acetic acid;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]purine;N-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;methane
CID 158568850
acetic acid;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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
CID 158764407
2-chloro-6-ethyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;2,6-dichloro-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;[2-(difluoromethoxy)-3-pyridinyl]boronic acid;2-[2-(difluoromethoxy)-3-pyridinyl]-6-ethyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methanamine;methane
CID 159124294
2-chloro-6-ethyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;2,6-dichloro-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;[2-(difluoromethoxy)-3-pyridinyl]boronic acid;2-[2-(difluoromethoxy)-3-pyridinyl]-6-ethyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methanamine
CID 159515751
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

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-chloro-4-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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;propanoyl chloride;tetrakis(triphenylphosphane)?
The IUPAC name of acetic acid;N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-chloro-4-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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;propanoyl chloride;tetrakis(triphenylphosphane) (CID 157435097) is acetic acid;N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-chloro-4-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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;propanoyl chloride;tetrakis(triphenylphosphane).
What is the SMILES notation for acetic acid;N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-chloro-4-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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;propanoyl chloride;tetrakis(triphenylphosphane)?
The canonical SMILES for acetic acid;N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-chloro-4-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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;propanoyl chloride;tetrakis(triphenylphosphane) is C.C.C.C.CC(=O)O.CC(C)n1cc(C(F)(F)F)nc1-c1ccc(CNc2nc(Cl)ncc2N)cc1.CCC(=O)Cl.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.CCc1nc2cnc(-c3c(OC)ncnc3C3CC3)nc2n1Cc1ccc(-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 acetic acid;N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-chloro-4-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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;propanoyl chloride;tetrakis(triphenylphosphane)?
The InChIKey is ATUFKWIRTVUOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N8O2.C29H29F3N8O.C21H22ClF3N6O.C18H18ClF3N6.4C18H15P.C3H5ClO.C2H4O2.4CH4.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;1-5-22-36-20-12-33-25(23-24(18-10-11-18)34-15-35-28(23)41-4)38-27(20)40(22)13-17-6-8-19(9-7-17)26-37-21(29(30,31)32)14-39(26)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;1-10(2)28-9-14(18(20,21)22)26-16(28)12-5-3-11(4-6-12)7-24-15-13(23)8-25-17(19)27-15;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3(4)5;1-2(3)4;;;;;/h6-9,13-16,18H,5,10-12H2,1-4H3,(H,37,41)(H,33,34,39);6-9,12,14-16,18H,5,10-11,13H2,1-4H3;5-8,10-12H,4,9H2,1-3H3,(H,28,32)(H,26,27,30);3-6,8-10H,7,23H2,1-2H3,(H,24,25,27);4*1-15H;2H2,1H3;1H3,(H,3,4);4*1H4;.
What are the key properties of acetic acid;N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-chloro-4-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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;propanoyl chloride;tetrakis(triphenylphosphane)?
acetic acid;N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-chloro-4-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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;propanoyl chloride;tetrakis(triphenylphosphane) has a molecular weight of 3393.28 g/mol, XLogP of 40.40, 43 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidin-5-yl]propanamide;2-chloro-4-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine;2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-ethyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine;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;propanoyl chloride;tetrakis(triphenylphosphane) is sourced from PubChem (CID 157435097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).