(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;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenyl]pyridine-3-carboxamide

C69H63ClF2N18O5S — CID 158005143

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;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenyl]pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2cccc(-c3nc(NC)nc4c3CC(=O)N4)c2)cn1.CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ncnc4c3CC(=O)N4)n2C)cc1.Cc1[nH]c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)c(C)c1CCC(=O)N1CCCC1
InChIInChI=1S/C26H26ClFN6O2.C23H18FN5OS.C20H19N7O2/c1-14-17(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;1-29-21(20-17-11-18(30)27-22(17)26-12-25-20)19(13-3-7-15(24)8-4-13)28-23(29)14-5-9-16(31-2)10-6-14;1-21-15-7-6-12(10-23-15)19(29)24-13-5-3-4-11(8-13)17-14-9-16(28)25-18(14)27-20(22-2)26-17/h5,7,11-13,31H,3-4,6,8-10H2,1-2H3,(H2,29,30,32,33,36);3-10,12H,11H2,1-2H3,(H,25,26,27,30);3-8,10H,9H2,1-2H3,(H,21,23)(H,24,29)(H2,22,25,26,27,28)/b18-12-;;
InChIKeyFEEVKFVFKRBBRK-BRZJQQEKSA-N
MW1329.90 g/mol
LogP11.94
Rot. Bonds15

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;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-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;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenyl]pyridine-3-carboxamide (PubChem CID 158005143) has the molecular formula C69H63ClF2N18O5S and a molecular weight of 1329.90 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;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-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;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenyl]pyridine-3-carboxamide
PubChem CID158005143
Molecular FormulaC69H63ClF2N18O5S
Molecular Weight1329.90 g/mol
Exact Mass1328.46
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;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenyl]pyridine-3-carboxamide
SMILESCNc1ccc(C(=O)Nc2cccc(-c3nc(NC)nc4c3CC(=O)N4)c2)cn1.CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ncnc4c3CC(=O)N4)n2C)cc1.Cc1[nH]c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)c(C)c1CCC(=O)N1CCCC1
InChIInChI=1S/C26H26ClFN6O2.C23H18FN5OS.C20H19N7O2/c1-14-17(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;1-29-21(20-17-11-18(30)27-22(17)26-12-25-20)19(13-3-7-15(24)8-4-13)28-23(29)14-5-9-16(31-2)10-6-14;1-21-15-7-6-12(10-23-15)19(29)24-13-5-3-4-11(8-13)17-14-9-16(28)25-18(14)27-20(22-2)26-17/h5,7,11-13,31H,3-4,6,8-10H2,1-2H3,(H2,29,30,32,33,36);3-10,12H,11H2,1-2H3,(H,25,26,27,30);3-8,10H,9H2,1-2H3,(H,21,23)(H,24,29)(H2,22,25,26,27,28)/b18-12-;;
InChIKeyFEEVKFVFKRBBRK-BRZJQQEKSA-N
XLogP11.94
TPSA296.64 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001329.90
LogP ≤ 511.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

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;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;5-[4-(dimethylamino)piperidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;5-[3-(dimethylamino)propyl-methylamino]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;molecular hydrogen
CID 157241472
(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoro-N-(6-methylpyrazin-2-yl)pyrrolidine-2-carboxamide;(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide;1-[(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-2-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]ethanone;methane
CID 157448206
1-[3-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157506457
6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;6-[2-(dimethylamino)ethylamino]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;ethane;molecular hydrogen;5-piperazin-1-yl-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one
CID 157588819
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide
CID 158208174
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 158215175
1-[2-(3-chloro-4-piperidin-1-ylanilino)pyrimidin-4-yl]-N-methylindole-3-carboxamide;N-methyl-1-[2-[3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(3-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide;N-methyl-1-[2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]indole-3-carboxamide
CID 158454184
(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-morpholin-4-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-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-methyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;5-[(Z)-[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide;5-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 158673680
7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;methane;7-methyl-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;6-[(3R)-3-methylpyrrolidin-1-yl]-2-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;molecular hydrogen
CID 158689387
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 158689819
(2S)-2-(4-chloro-3-fluorophenyl)-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]-1-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethanone;(2S)-2-(4-chlorophenyl)-1-[4-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;N-[4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide;N-[4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 159220672
7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;ethane;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;molecular hydrogen
CID 159422743

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;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-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;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenyl]pyridine-3-carboxamide (CID 158005143) 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;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-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;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-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;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenyl]pyridine-3-carboxamide is CNc1ccc(C(=O)Nc2cccc(-c3nc(NC)nc4c3CC(=O)N4)c2)cn1.CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ncnc4c3CC(=O)N4)n2C)cc1.Cc1[nH]c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)c(C)c1CCC(=O)N1CCCC1.
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;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is FEEVKFVFKRBBRK-BRZJQQEKSA-N. The full InChI is InChI=1S/C26H26ClFN6O2.C23H18FN5OS.C20H19N7O2/c1-14-17(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;1-29-21(20-17-11-18(30)27-22(17)26-12-25-20)19(13-3-7-15(24)8-4-13)28-23(29)14-5-9-16(31-2)10-6-14;1-21-15-7-6-12(10-23-15)19(29)24-13-5-3-4-11(8-13)17-14-9-16(28)25-18(14)27-20(22-2)26-17/h5,7,11-13,31H,3-4,6,8-10H2,1-2H3,(H2,29,30,32,33,36);3-10,12H,11H2,1-2H3,(H,25,26,27,30);3-8,10H,9H2,1-2H3,(H,21,23)(H,24,29)(H2,22,25,26,27,28)/b18-12-;;.
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;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-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;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 1329.90 g/mol, XLogP of 11.94, 15 rotatable bonds, 8 hydrogen bond donors, and 18 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;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 158005143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).