[2-[(2-chloro-4-pyridazin-4-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyridazin-3-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;2-[4-[[5-[4-[methyl(prop-1-en-2-yl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-pyridazin-4-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

C179H207Cl4F9N46O12 — CID 158134133

IUPAC[2-[(2-chloro-4-pyridazin-4-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyridazin-3-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;2-[4-[[5-[4-[methyl(prop-1-en-2-yl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-pyridazin-4-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESC=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(-c5cccnn5)cc4Cl)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(-c5cncnc5)cc4Cl)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(-c5ncccn5)cc4Cl)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(OC(C)C)cc4C(F)(F)F)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(OCC(=O)N5CCCC5)cc4C(F)(F)F)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(Oc5ccnnc5)cc4C(F)(F)F)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(Oc5ccnnc5)cc4Cl)CC3C2)c1
InChIInChI=1S/C28H35F3N6O3.C26H28F3N7O2.C25H28ClN7O2.3C25H28ClN7O.C25H32F3N5O2/c1-19(2)33(3)23-11-32-37(17-23)27(39)36-15-21-13-34(14-22(21)16-36)12-20-6-7-24(10-25(20)28(29,30)31)40-18-26(38)35-8-4-5-9-35;1-17(2)33(3)21-9-32-36(16-21)25(37)35-14-19-12-34(13-20(19)15-35)11-18-4-5-22(8-24(18)26(27,28)29)38-23-6-7-30-31-10-23;1-17(2)30(3)21-9-29-33(16-21)25(34)32-14-19-12-31(13-20(19)15-32)11-18-4-5-22(8-24(18)26)35-23-6-7-27-28-10-23;1-17(2)30(3)22-10-29-33(16-22)25(34)32-14-20-12-31(13-21(20)15-32)11-19-6-5-18(9-23(19)26)24-27-7-4-8-28-24;1-17(2)30(3)23-9-29-33(15-23)25(34)32-13-21-11-31(12-22(21)14-32)10-19-5-4-18(6-24(19)26)20-7-27-16-28-8-20;1-17(2)30(3)22-10-28-33(16-22)25(34)32-14-20-12-31(13-21(20)15-32)11-19-7-6-18(9-23(19)26)24-5-4-8-27-29-24;1-16(2)30(5)21-9-29-33(15-21)24(34)32-13-19-11-31(12-20(19)14-32)10-18-6-7-22(35-17(3)4)8-23(18)25(26,27)28/h6-7,10-11,17,21-22H,1,4-5,8-9,12-16,18H2,2-3H3;4-10,16,19-20H,1,11-15H2,2-3H3;4-10,16,19-20H,1,11-15H2,2-3H3;4-10,16,20-21H,1,11-15H2,2-3H3;4-9,15-16,21-22H,1,10-14H2,2-3H3;4-10,16,20-21H,1,11-15H2,2-3H3;6-9,15,17,19-20H,1,10-14H2,2-5H3
InChIKeyFTDFNJMNOVKDJW-UHFFFAOYSA-N
MW3507.73 g/mol
LogP29.19
Rot. Bonds40

About [2-[(2-chloro-4-pyridazin-4-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyridazin-3-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;2-[4-[[5-[4-[methyl(prop-1-en-2-yl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-pyridazin-4-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

[2-[(2-chloro-4-pyridazin-4-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyridazin-3-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;2-[4-[[5-[4-[methyl(prop-1-en-2-yl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-pyridazin-4-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (PubChem CID 158134133) has the molecular formula C179H207Cl4F9N46O12 and a molecular weight of 3507.73 g/mol. Its IUPAC name is [2-[(2-chloro-4-pyridazin-4-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyridazin-3-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;2-[4-[[5-[4-[methyl(prop-1-en-2-yl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-pyridazin-4-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.

Molecular Properties

Compound Name[2-[(2-chloro-4-pyridazin-4-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyridazin-3-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;2-[4-[[5-[4-[methyl(prop-1-en-2-yl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-pyridazin-4-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
PubChem CID158134133
Molecular FormulaC179H207Cl4F9N46O12
Molecular Weight3507.73 g/mol
Exact Mass3503.56
IUPAC Name[2-[(2-chloro-4-pyridazin-4-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyridazin-3-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;2-[4-[[5-[4-[methyl(prop-1-en-2-yl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-pyridazin-4-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESC=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(-c5cccnn5)cc4Cl)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(-c5cncnc5)cc4Cl)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(-c5ncccn5)cc4Cl)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(OC(C)C)cc4C(F)(F)F)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(OCC(=O)N5CCCC5)cc4C(F)(F)F)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(Oc5ccnnc5)cc4C(F)(F)F)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(Oc5ccnnc5)cc4Cl)CC3C2)c1
InChIInChI=1S/C28H35F3N6O3.C26H28F3N7O2.C25H28ClN7O2.3C25H28ClN7O.C25H32F3N5O2/c1-19(2)33(3)23-11-32-37(17-23)27(39)36-15-21-13-34(14-22(21)16-36)12-20-6-7-24(10-25(20)28(29,30)31)40-18-26(38)35-8-4-5-9-35;1-17(2)33(3)21-9-32-36(16-21)25(37)35-14-19-12-34(13-20(19)15-35)11-18-4-5-22(8-24(18)26(27,28)29)38-23-6-7-30-31-10-23;1-17(2)30(3)21-9-29-33(16-21)25(34)32-14-19-12-31(13-20(19)15-32)11-18-4-5-22(8-24(18)26)35-23-6-7-27-28-10-23;1-17(2)30(3)22-10-29-33(16-22)25(34)32-14-20-12-31(13-21(20)15-32)11-19-6-5-18(9-23(19)26)24-27-7-4-8-28-24;1-17(2)30(3)23-9-29-33(15-23)25(34)32-13-21-11-31(12-22(21)14-32)10-19-5-4-18(6-24(19)26)20-7-27-16-28-8-20;1-17(2)30(3)22-10-28-33(16-22)25(34)32-14-20-12-31(13-21(20)15-32)11-19-7-6-18(9-23(19)26)24-5-4-8-27-29-24;1-16(2)30(5)21-9-29-33(15-21)24(34)32-13-19-11-31(12-20(19)14-32)10-18-6-7-22(35-17(3)4)8-23(18)25(26,27)28/h6-7,10-11,17,21-22H,1,4-5,8-9,12-16,18H2,2-3H3;4-10,16,19-20H,1,11-15H2,2-3H3;4-10,16,19-20H,1,11-15H2,2-3H3;4-10,16,20-21H,1,11-15H2,2-3H3;4-9,15-16,21-22H,1,10-14H2,2-3H3;4-10,16,20-21H,1,11-15H2,2-3H3;6-9,15,17,19-20H,1,10-14H2,2-5H3
InChIKeyFTDFNJMNOVKDJW-UHFFFAOYSA-N
XLogP29.19
TPSA498.40 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds40
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003507.73
LogP ≤ 529.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Analyze [2-[(2-chloro-4-pyridazin-4-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyridazin-3-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;2-[4-[[5-[4-[methyl(prop-1-en-2-yl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-pyridazin-4-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone with MolForge

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What is the IUPAC name of [2-[(2-chloro-4-pyridazin-4-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyridazin-3-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;2-[4-[[5-[4-[methyl(prop-1-en-2-yl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-pyridazin-4-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The IUPAC name of [2-[(2-chloro-4-pyridazin-4-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyridazin-3-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;2-[4-[[5-[4-[methyl(prop-1-en-2-yl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-pyridazin-4-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (CID 158134133) is [2-[(2-chloro-4-pyridazin-4-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyridazin-3-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;2-[4-[[5-[4-[methyl(prop-1-en-2-yl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-pyridazin-4-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.
What is the SMILES notation for [2-[(2-chloro-4-pyridazin-4-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyridazin-3-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;2-[4-[[5-[4-[methyl(prop-1-en-2-yl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-pyridazin-4-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The canonical SMILES for [2-[(2-chloro-4-pyridazin-4-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyridazin-3-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;2-[4-[[5-[4-[methyl(prop-1-en-2-yl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-pyridazin-4-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(-c5cccnn5)cc4Cl)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(-c5cncnc5)cc4Cl)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(-c5ncccn5)cc4Cl)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(OC(C)C)cc4C(F)(F)F)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(OCC(=O)N5CCCC5)cc4C(F)(F)F)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(Oc5ccnnc5)cc4C(F)(F)F)CC3C2)c1.C=C(C)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(Oc5ccnnc5)cc4Cl)CC3C2)c1.
What is the InChIKey of [2-[(2-chloro-4-pyridazin-4-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyridazin-3-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;2-[4-[[5-[4-[methyl(prop-1-en-2-yl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-pyridazin-4-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The InChIKey is FTDFNJMNOVKDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F3N6O3.C26H28F3N7O2.C25H28ClN7O2.3C25H28ClN7O.C25H32F3N5O2/c1-19(2)33(3)23-11-32-37(17-23)27(39)36-15-21-13-34(14-22(21)16-36)12-20-6-7-24(10-25(20)28(29,30)31)40-18-26(38)35-8-4-5-9-35;1-17(2)33(3)21-9-32-36(16-21)25(37)35-14-19-12-34(13-20(19)15-35)11-18-4-5-22(8-24(18)26(27,28)29)38-23-6-7-30-31-10-23;1-17(2)30(3)21-9-29-33(16-21)25(34)32-14-19-12-31(13-20(19)15-32)11-18-4-5-22(8-24(18)26)35-23-6-7-27-28-10-23;1-17(2)30(3)22-10-29-33(16-22)25(34)32-14-20-12-31(13-21(20)15-32)11-19-6-5-18(9-23(19)26)24-27-7-4-8-28-24;1-17(2)30(3)23-9-29-33(15-23)25(34)32-13-21-11-31(12-22(21)14-32)10-19-5-4-18(6-24(19)26)20-7-27-16-28-8-20;1-17(2)30(3)22-10-28-33(16-22)25(34)32-14-20-12-31(13-21(20)15-32)11-19-7-6-18(9-23(19)26)24-5-4-8-27-29-24;1-16(2)30(5)21-9-29-33(15-21)24(34)32-13-19-11-31(12-20(19)14-32)10-18-6-7-22(35-17(3)4)8-23(18)25(26,27)28/h6-7,10-11,17,21-22H,1,4-5,8-9,12-16,18H2,2-3H3;4-10,16,19-20H,1,11-15H2,2-3H3;4-10,16,19-20H,1,11-15H2,2-3H3;4-10,16,20-21H,1,11-15H2,2-3H3;4-9,15-16,21-22H,1,10-14H2,2-3H3;4-10,16,20-21H,1,11-15H2,2-3H3;6-9,15,17,19-20H,1,10-14H2,2-5H3.
What are the key properties of [2-[(2-chloro-4-pyridazin-4-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyridazin-3-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;2-[4-[[5-[4-[methyl(prop-1-en-2-yl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-pyridazin-4-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
[2-[(2-chloro-4-pyridazin-4-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyridazin-3-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;2-[4-[[5-[4-[methyl(prop-1-en-2-yl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-pyridazin-4-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone has a molecular weight of 3507.73 g/mol, XLogP of 29.19, 40 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-4-pyridazin-4-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyridazin-3-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-2-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;[2-[(2-chloro-4-pyrimidin-5-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]methanone;2-[4-[[5-[4-[methyl(prop-1-en-2-yl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone;[4-[methyl(prop-1-en-2-yl)amino]pyrazol-1-yl]-[2-[[4-pyridazin-4-yloxy-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is sourced from PubChem (CID 158134133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).