(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid;6-(methylamino)-N-[3-[6-(methylamino)-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide

C119H114Cl4F4N30O12 — CID 159253656

IUPAC(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid;6-(methylamino)-N-[3-[6-(methylamino)-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide
SMILESCC(C)c1cc(CCC(=O)O)c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]1.CNc1ccc(C(=O)Nc2cccc(-c3cc(NC)nc4c3CC(=O)N4)c2)cn1.Cc1[nH]c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)c(C)c1CCC(=O)N1CCCC1.Cc1cc(C(=O)N2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21.Cc1cc(CCC(=O)N2CCN(C)CC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21
InChIInChI=1S/C26H27ClFN7O2.C26H26ClFN6O2.C23H20ClFN6O3.C23H21ClFN5O3.C21H20N6O2/c1-15-11-16(4-6-22(36)35-9-7-34(2)8-10-35)31-21(15)13-18-23-24(29-14-30-25(23)33-26(18)37)32-17-3-5-20(28)19(27)12-17;1-14-17(6-8-22(35)34-9-3-4-10-34)15(2)31-21(14)12-18-23-24(29-13-30-25(23)33-26(18)36)32-16-5-7-20(28)19(27)11-16;1-12-8-18(23(33)31-4-6-34-7-5-31)29-17(12)10-14-19-20(26-11-27-21(19)30-22(14)32)28-13-2-3-16(25)15(24)9-13;1-11(2)17-7-12(3-6-19(31)32)18(29-17)9-14-20-21(26-10-27-22(20)30-23(14)33)28-13-4-5-16(25)15(24)8-13;1-22-17-7-6-13(11-24-17)21(29)25-14-5-3-4-12(8-14)15-9-18(23-2)26-20-16(15)10-19(28)27-20/h3,5,11-14,31H,4,6-10H2,1-2H3,(H2,29,30,32,33,37);5,7,11-13,31H,3-4,6,8-10H2,1-2H3,(H2,29,30,32,33,36);2-3,8-11,29H,4-7H2,1H3,(H2,26,27,28,30,32);4-5,7-11,29H,3,6H2,1-2H3,(H,31,32)(H2,26,27,28,30,33);3-9,11H,10H2,1-2H3,(H,22,24)(H,25,29)(H2,23,26,27,28)/b18-13-;18-12-;14-10-;14-9-;
InChIKeyKVPRAGDCOKDAIF-UUZDDOCISA-N
MW2374.22 g/mol
LogP20.42
Rot. Bonds28

About (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid;6-(methylamino)-N-[3-[6-(methylamino)-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide

(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid;6-(methylamino)-N-[3-[6-(methylamino)-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide (PubChem CID 159253656) has the molecular formula C119H114Cl4F4N30O12 and a molecular weight of 2374.22 g/mol. Its IUPAC name is (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid;6-(methylamino)-N-[3-[6-(methylamino)-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid;6-(methylamino)-N-[3-[6-(methylamino)-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide
PubChem CID159253656
Molecular FormulaC119H114Cl4F4N30O12
Molecular Weight2374.22 g/mol
Exact Mass2370.79
IUPAC Name(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid;6-(methylamino)-N-[3-[6-(methylamino)-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide
SMILESCC(C)c1cc(CCC(=O)O)c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]1.CNc1ccc(C(=O)Nc2cccc(-c3cc(NC)nc4c3CC(=O)N4)c2)cn1.Cc1[nH]c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)c(C)c1CCC(=O)N1CCCC1.Cc1cc(C(=O)N2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21.Cc1cc(CCC(=O)N2CCN(C)CC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21
InChIInChI=1S/C26H27ClFN7O2.C26H26ClFN6O2.C23H20ClFN6O3.C23H21ClFN5O3.C21H20N6O2/c1-15-11-16(4-6-22(36)35-9-7-34(2)8-10-35)31-21(15)13-18-23-24(29-14-30-25(23)33-26(18)37)32-17-3-5-20(28)19(27)12-17;1-14-17(6-8-22(35)34-9-3-4-10-34)15(2)31-21(14)12-18-23-24(29-13-30-25(23)33-26(18)36)32-16-5-7-20(28)19(27)11-16;1-12-8-18(23(33)31-4-6-34-7-5-31)29-17(12)10-14-19-20(26-11-27-21(19)30-22(14)32)28-13-2-3-16(25)15(24)9-13;1-11(2)17-7-12(3-6-19(31)32)18(29-17)9-14-20-21(26-10-27-22(20)30-23(14)33)28-13-4-5-16(25)15(24)8-13;1-22-17-7-6-13(11-24-17)21(29)25-14-5-3-4-12(8-14)15-9-18(23-2)26-20-16(15)10-19(28)27-20/h3,5,11-14,31H,4,6-10H2,1-2H3,(H2,29,30,32,33,37);5,7,11-13,31H,3-4,6,8-10H2,1-2H3,(H2,29,30,32,33,36);2-3,8-11,29H,4-7H2,1H3,(H2,26,27,28,30,32);4-5,7-11,29H,3,6H2,1-2H3,(H,31,32)(H2,26,27,28,30,33);3-9,11H,10H2,1-2H3,(H,22,24)(H,25,29)(H2,23,26,27,28)/b18-13-;18-12-;14-10-;14-9-;
InChIKeyKVPRAGDCOKDAIF-UUZDDOCISA-N
XLogP20.42
TPSA549.54 Ų
H-Bond Donors17
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms169
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002374.22
LogP ≤ 520.42
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid;6-(methylamino)-N-[3-[6-(methylamino)-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid;6-(methylamino)-N-[3-[6-(methylamino)-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid;6-(methylamino)-N-[3-[6-(methylamino)-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide (CID 159253656) is (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid;6-(methylamino)-N-[3-[6-(methylamino)-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid;6-(methylamino)-N-[3-[6-(methylamino)-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid;6-(methylamino)-N-[3-[6-(methylamino)-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide is CC(C)c1cc(CCC(=O)O)c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]1.CNc1ccc(C(=O)Nc2cccc(-c3cc(NC)nc4c3CC(=O)N4)c2)cn1.Cc1[nH]c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)c(C)c1CCC(=O)N1CCCC1.Cc1cc(C(=O)N2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21.Cc1cc(CCC(=O)N2CCN(C)CC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21.
What is the InChIKey of (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid;6-(methylamino)-N-[3-[6-(methylamino)-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is KVPRAGDCOKDAIF-UUZDDOCISA-N. The full InChI is InChI=1S/C26H27ClFN7O2.C26H26ClFN6O2.C23H20ClFN6O3.C23H21ClFN5O3.C21H20N6O2/c1-15-11-16(4-6-22(36)35-9-7-34(2)8-10-35)31-21(15)13-18-23-24(29-14-30-25(23)33-26(18)37)32-17-3-5-20(28)19(27)12-17;1-14-17(6-8-22(35)34-9-3-4-10-34)15(2)31-21(14)12-18-23-24(29-13-30-25(23)33-26(18)36)32-16-5-7-20(28)19(27)11-16;1-12-8-18(23(33)31-4-6-34-7-5-31)29-17(12)10-14-19-20(26-11-27-21(19)30-22(14)32)28-13-2-3-16(25)15(24)9-13;1-11(2)17-7-12(3-6-19(31)32)18(29-17)9-14-20-21(26-10-27-22(20)30-23(14)33)28-13-4-5-16(25)15(24)8-13;1-22-17-7-6-13(11-24-17)21(29)25-14-5-3-4-12(8-14)15-9-18(23-2)26-20-16(15)10-19(28)27-20/h3,5,11-14,31H,4,6-10H2,1-2H3,(H2,29,30,32,33,37);5,7,11-13,31H,3-4,6,8-10H2,1-2H3,(H2,29,30,32,33,36);2-3,8-11,29H,4-7H2,1H3,(H2,26,27,28,30,32);4-5,7-11,29H,3,6H2,1-2H3,(H,31,32)(H2,26,27,28,30,33);3-9,11H,10H2,1-2H3,(H,22,24)(H,25,29)(H2,23,26,27,28)/b18-13-;18-12-;14-10-;14-9-;.
What are the key properties of (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid;6-(methylamino)-N-[3-[6-(methylamino)-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide?
(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid;6-(methylamino)-N-[3-[6-(methylamino)-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 2374.22 g/mol, XLogP of 20.42, 28 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;3-[2-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-5-propan-2-yl-1H-pyrrol-3-yl]propanoic acid;6-(methylamino)-N-[3-[6-(methylamino)-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 159253656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).