About (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7-methylpyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]propanoic acid
(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7-methylpyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]propanoic acid (PubChem CID 162009795) has the molecular formula C137H125Cl6F6N35O14
and a molecular weight of 2812.44 g/mol. Its IUPAC name is (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7-methylpyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]propanoic acid.
Frequently Asked Questions
What is the IUPAC name of (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7-methylpyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]propanoic acid?
The IUPAC name of (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7-methylpyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]propanoic acid (CID 162009795) is (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7-methylpyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]propanoic acid.
What is the SMILES notation for (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7-methylpyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]propanoic acid?
The canonical SMILES for (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7-methylpyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]propanoic acid is Cc1[nH]c(/C=C2\C(=O)N(C)c3ncnc(Nc4ccc(F)c(Cl)c4)c32)c(C)c1CCC(=O)O.Cc1[nH]c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)c(C)c1C(=O)N1CCN(C)CC1.Cc1cc(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]c1C(=O)N1CCOCC1.Cc1cc(C(=O)N2CCN(C)CC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21.Cc1cc(C)c(/C=C2\C(=O)N(C)c3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]1.Cc1cc(CCC(=O)O)[nH]c1/C=C1\C(=O)N(C)c2ncnc(Nc3ccc(F)c(Cl)c3)c21.
What is the InChIKey of (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7-methylpyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]propanoic acid?
The InChIKey is YTHYUKZOESDEFD-BBAFSGAMSA-N. The full InChI is InChI=1S/C25H25ClFN7O2.C24H23ClFN7O2.C23H20ClFN6O3.C23H21ClFN5O3.C22H19ClFN5O3.C20H17ClFN5O/c1-13-19(30-14(2)20(13)25(36)34-8-6-33(3)7-9-34)11-16-21-22(28-12-29-23(21)32-24(16)35)31-15-4-5-18(27)17(26)10-15;1-13-9-19(24(35)33-7-5-32(2)6-8-33)30-18(13)11-15-20-21(27-12-28-22(20)31-23(15)34)29-14-3-4-17(26)16(25)10-14;1-12-8-14(28-19(12)23(33)31-4-6-34-7-5-31)9-15-18-20(26-11-27-21(18)30-22(15)32)29-13-2-3-17(25)16(24)10-13;1-11-14(5-7-19(31)32)12(2)28-18(11)9-15-20-21(26-10-27-22(20)30(3)23(15)33)29-13-4-6-17(25)16(24)8-13;1-11-7-12(4-6-18(30)31)27-17(11)9-14-19-20(25-10-26-21(19)29(2)22(14)32)28-13-3-5-16(24)15(23)8-13;1-10-6-11(2)25-16(10)8-13-17-18(23-9-24-19(17)27(3)20(13)28)26-12-4-5-15(22)14(21)7-12/h4-5,10-12,30H,6-9H2,1-3H3,(H2,28,29,31,32,35);3-4,9-12,30H,5-8H2,1-2H3,(H2,27,28,29,31,34);2-3,8-11,28H,4-7H2,1H3,(H2,26,27,29,30,32);4,6,8-10,28H,5,7H2,1-3H3,(H,31,32)(H,26,27,29);3,5,7-10,27H,4,6H2,1-2H3,(H,30,31)(H,25,26,28);4-9,25H,1-3H3,(H,23,24,26)/b16-11-;15-11-;2*15-9-;14-9-;13-8-.
What are the key properties of (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7-methylpyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]propanoic acid?
(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7-methylpyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]propanoic acid has a molecular weight of 2812.44 g/mol, XLogP of 24.13, 27 rotatable bonds, 17 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-7-methylpyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[4-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]propanoic acid is sourced from PubChem (CID 162009795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).