bis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane

C128H128F21N35O19S14 — CID 161045620

IUPACbis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane
SMILESC=S(C)(C)=Nc1cnc(-c2cn3cnc(C(F)(F)F)cc3n2)c(S(=O)(=O)CC)c1.C=S1(=Nc2cnc(-c3cn4cnc(C(F)(F)F)cc4n3)c(S(=O)(=O)CC)c2)CCC1.C=S1(=Nc2cnc(-c3cn4cnc(C(F)(F)F)cc4n3)c(S(=O)(=O)CC)c2)CCOCC1.CCS(=O)(=O)c1cc(N=S(C)(=O)C2CC2)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(N=S(C)(=O)C2CC2)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(N=S(C)(=O)c2ccc(C)cc2)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(N=S(C)(C)=O)cnc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C22H20F3N5O3S2.C19H20F3N5O3S2.2C18H18F3N5O3S2.C18H18F3N5O2S2.C17H18F3N5O2S2.C16H16F3N5O3S2/c1-4-35(32,33)18-9-15(29-34(3,31)16-7-5-14(2)6-8-16)11-26-21(18)17-12-30-13-27-19(22(23,24)25)10-20(30)28-17;1-3-32(28,29)15-8-13(26-31(2)6-4-30-5-7-31)10-23-18(15)14-11-27-12-24-16(19(20,21)22)9-17(27)25-14;2*1-3-31(28,29)14-6-11(25-30(2,27)12-4-5-12)8-22-17(14)13-9-26-10-23-15(18(19,20)21)7-16(26)24-13;1-3-30(27,28)14-7-12(25-29(2)5-4-6-29)9-22-17(14)13-10-26-11-23-15(18(19,20)21)8-16(26)24-13;1-5-29(26,27)13-6-11(24-28(2,3)4)8-21-16(13)12-9-25-10-22-14(17(18,19)20)7-15(25)23-12;1-4-29(26,27)12-5-10(23-28(2,3)25)7-20-15(12)11-8-24-9-21-13(16(17,18)19)6-14(24)22-11/h5-13H,4H2,1-3H3;8-12H,2-7H2,1H3;2*6-10,12H,3-5H2,1-2H3;7-11H,2-6H2,1H3;6-10H,2,5H2,1,3-4H3;5-9H,4H2,1-3H3
InChIKeyUBLSAWATESSEOP-UHFFFAOYSA-N
MW3308.55 g/mol
LogP24.36
Rot. Bonds31

About bis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane

bis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane (PubChem CID 161045620) has the molecular formula C128H128F21N35O19S14 and a molecular weight of 3308.55 g/mol. Its IUPAC name is bis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Namebis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane
PubChem CID161045620
Molecular FormulaC128H128F21N35O19S14
Molecular Weight3308.55 g/mol
Exact Mass3305.59
IUPAC Namebis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane
SMILESC=S(C)(C)=Nc1cnc(-c2cn3cnc(C(F)(F)F)cc3n2)c(S(=O)(=O)CC)c1.C=S1(=Nc2cnc(-c3cn4cnc(C(F)(F)F)cc4n3)c(S(=O)(=O)CC)c2)CCC1.C=S1(=Nc2cnc(-c3cn4cnc(C(F)(F)F)cc4n3)c(S(=O)(=O)CC)c2)CCOCC1.CCS(=O)(=O)c1cc(N=S(C)(=O)C2CC2)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(N=S(C)(=O)C2CC2)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(N=S(C)(=O)c2ccc(C)cc2)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(N=S(C)(C)=O)cnc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C22H20F3N5O3S2.C19H20F3N5O3S2.2C18H18F3N5O3S2.C18H18F3N5O2S2.C17H18F3N5O2S2.C16H16F3N5O3S2/c1-4-35(32,33)18-9-15(29-34(3,31)16-7-5-14(2)6-8-16)11-26-21(18)17-12-30-13-27-19(22(23,24)25)10-20(30)28-17;1-3-32(28,29)15-8-13(26-31(2)6-4-30-5-7-31)10-23-18(15)14-11-27-12-24-16(19(20,21)22)9-17(27)25-14;2*1-3-31(28,29)14-6-11(25-30(2,27)12-4-5-12)8-22-17(14)13-9-26-10-23-15(18(19,20)21)7-16(26)24-13;1-3-30(27,28)14-7-12(25-29(2)5-4-6-29)9-22-17(14)13-10-26-11-23-15(18(19,20)21)8-16(26)24-13;1-5-29(26,27)13-6-11(24-28(2,3)4)8-21-16(13)12-9-25-10-22-14(17(18,19)20)7-15(25)23-12;1-4-29(26,27)12-5-10(23-28(2,3)25)7-20-15(12)11-8-24-9-21-13(16(17,18)19)6-14(24)22-11/h5-13H,4H2,1-3H3;8-12H,2-7H2,1H3;2*6-10,12H,3-5H2,1-2H3;7-11H,2-6H2,1H3;6-10H,2,5H2,1,3-4H3;5-9H,4H2,1-3H3
InChIKeyUBLSAWATESSEOP-UHFFFAOYSA-N
XLogP24.36
TPSA704.57 Ų
H-Bond Donors
H-Bond Acceptors54
Rotatable Bonds31
Heavy Atoms217
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003308.55
LogP ≤ 524.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

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

Analyze bis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of bis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane?
The IUPAC name of bis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane (CID 161045620) is bis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane.
What is the SMILES notation for bis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane?
The canonical SMILES for bis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane is C=S(C)(C)=Nc1cnc(-c2cn3cnc(C(F)(F)F)cc3n2)c(S(=O)(=O)CC)c1.C=S1(=Nc2cnc(-c3cn4cnc(C(F)(F)F)cc4n3)c(S(=O)(=O)CC)c2)CCC1.C=S1(=Nc2cnc(-c3cn4cnc(C(F)(F)F)cc4n3)c(S(=O)(=O)CC)c2)CCOCC1.CCS(=O)(=O)c1cc(N=S(C)(=O)C2CC2)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(N=S(C)(=O)C2CC2)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(N=S(C)(=O)c2ccc(C)cc2)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.CCS(=O)(=O)c1cc(N=S(C)(C)=O)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.
What is the InChIKey of bis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane?
The InChIKey is UBLSAWATESSEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O3S2.C19H20F3N5O3S2.2C18H18F3N5O3S2.C18H18F3N5O2S2.C17H18F3N5O2S2.C16H16F3N5O3S2/c1-4-35(32,33)18-9-15(29-34(3,31)16-7-5-14(2)6-8-16)11-26-21(18)17-12-30-13-27-19(22(23,24)25)10-20(30)28-17;1-3-32(28,29)15-8-13(26-31(2)6-4-30-5-7-31)10-23-18(15)14-11-27-12-24-16(19(20,21)22)9-17(27)25-14;2*1-3-31(28,29)14-6-11(25-30(2,27)12-4-5-12)8-22-17(14)13-9-26-10-23-15(18(19,20)21)7-16(26)24-13;1-3-30(27,28)14-7-12(25-29(2)5-4-6-29)9-22-17(14)13-10-26-11-23-15(18(19,20)21)8-16(26)24-13;1-5-29(26,27)13-6-11(24-28(2,3)4)8-21-16(13)12-9-25-10-22-14(17(18,19)20)7-15(25)23-12;1-4-29(26,27)12-5-10(23-28(2,3)25)7-20-15(12)11-8-24-9-21-13(16(17,18)19)6-14(24)22-11/h5-13H,4H2,1-3H3;8-12H,2-7H2,1H3;2*6-10,12H,3-5H2,1-2H3;7-11H,2-6H2,1H3;6-10H,2,5H2,1,3-4H3;5-9H,4H2,1-3H3.
What are the key properties of bis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane?
bis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane has a molecular weight of 3308.55 g/mol, XLogP of 24.36, 31 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopropyl-[[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane);2-[3-ethylsulfonyl-5-[(4-methylidene-1,4-oxathian-4-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;2-[3-ethylsulfonyl-5-[(1-methylidenethietan-1-ylidene)amino]-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-methylidene-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-dimethyl-oxo-λ6-sulfane;[5-ethylsulfonyl-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]imino-methyl-(4-methylphenyl)-oxo-λ6-sulfane is sourced from PubChem (CID 161045620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).