(E)-4-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one

C98H90F2N16O7 — CID 158163138

IUPAC(E)-4-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one
SMILESCC(=O)/C=C/c1c[nH]c2ncc(-c3ccc(F)cc3F)cc12.CC(=O)/C=C/c1c[nH]c2ncc(-c3ccccc3)cc12.CC(=O)/C=C/c1c[nH]c2ncc(-c3ccn(-c4ccccc4)n3)cc12.CC(=O)/C=C/c1c[nH]c2ncc(-c3cnn(C)c3)cc12.CC(=O)/C=C/c1c[nH]c2ncc(CC(C)C)cc12.CC(=O)/C=C/c1c[nH]c2ncc(OC(C)C)cc12
InChIInChI=1S/C20H16N4O.C17H12F2N2O.C17H14N2O.C15H14N4O.C15H18N2O.C14H16N2O2/c1-14(25)7-8-15-12-21-20-18(15)11-16(13-22-20)19-9-10-24(23-19)17-5-3-2-4-6-17;1-10(22)2-3-11-8-20-17-15(11)6-12(9-21-17)14-5-4-13(18)7-16(14)19;1-12(20)7-8-14-10-18-17-16(14)9-15(11-19-17)13-5-3-2-4-6-13;1-10(20)3-4-11-6-16-15-14(11)5-12(7-17-15)13-8-18-19(2)9-13;1-10(2)6-12-7-14-13(5-4-11(3)18)9-17-15(14)16-8-12;1-9(2)18-12-6-13-11(5-4-10(3)17)7-15-14(13)16-8-12/h2-13H,1H3,(H,21,22);2-9H,1H3,(H,20,21);2-11H,1H3,(H,18,19);3-9H,1-2H3,(H,16,17);4-5,7-10H,6H2,1-3H3,(H,16,17);4-9H,1-3H3,(H,15,16)/b8-7+;3-2+;8-7+;4-3+;2*5-4+
InChIKeyFWNFYOLHHBCXGA-VDFDYIHWSA-N
MW1641.90 g/mol
LogP20.84
Rot. Bonds21

About (E)-4-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one

(E)-4-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one (PubChem CID 158163138) has the molecular formula C98H90F2N16O7 and a molecular weight of 1641.90 g/mol. Its IUPAC name is (E)-4-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one
PubChem CID158163138
Molecular FormulaC98H90F2N16O7
Molecular Weight1641.90 g/mol
Exact Mass1640.71
IUPAC Name(E)-4-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one
SMILESCC(=O)/C=C/c1c[nH]c2ncc(-c3ccc(F)cc3F)cc12.CC(=O)/C=C/c1c[nH]c2ncc(-c3ccccc3)cc12.CC(=O)/C=C/c1c[nH]c2ncc(-c3ccn(-c4ccccc4)n3)cc12.CC(=O)/C=C/c1c[nH]c2ncc(-c3cnn(C)c3)cc12.CC(=O)/C=C/c1c[nH]c2ncc(CC(C)C)cc12.CC(=O)/C=C/c1c[nH]c2ncc(OC(C)C)cc12
InChIInChI=1S/C20H16N4O.C17H12F2N2O.C17H14N2O.C15H14N4O.C15H18N2O.C14H16N2O2/c1-14(25)7-8-15-12-21-20-18(15)11-16(13-22-20)19-9-10-24(23-19)17-5-3-2-4-6-17;1-10(22)2-3-11-8-20-17-15(11)6-12(9-21-17)14-5-4-13(18)7-16(14)19;1-12(20)7-8-14-10-18-17-16(14)9-15(11-19-17)13-5-3-2-4-6-13;1-10(20)3-4-11-6-16-15-14(11)5-12(7-17-15)13-8-18-19(2)9-13;1-10(2)6-12-7-14-13(5-4-11(3)18)9-17-15(14)16-8-12;1-9(2)18-12-6-13-11(5-4-10(3)17)7-15-14(13)16-8-12/h2-13H,1H3,(H,21,22);2-9H,1H3,(H,20,21);2-11H,1H3,(H,18,19);3-9H,1-2H3,(H,16,17);4-5,7-10H,6H2,1-3H3,(H,16,17);4-9H,1-3H3,(H,15,16)/b8-7+;3-2+;8-7+;4-3+;2*5-4+
InChIKeyFWNFYOLHHBCXGA-VDFDYIHWSA-N
XLogP20.84
TPSA319.37 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001641.90
LogP ≤ 520.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze (E)-4-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-[4-amino-1-[2-[4-[[2-[4-amino-1-[1-[[2-[4-amino-1-[1-[[2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-fluoro-1H-indol-5-yl]oxy]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluoro-1H-indol-5-yl]oxy]propan-2-yl]pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-5-yl]oxy]-2-methylimidazol-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
CID 123808231
4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-[[4-[4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124012055
N-[[5-(6-methylpyridin-2-yl)-4-[2-[[4-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methoxymethyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]-2-(trifluoromethoxy)aniline
CID 132035366
3-(methoxymethyl)-4-[6-[5-(6-methyl-2-pyridinyl)-2-[[4-[[6-[5-(6-methyl-2-pyridinyl)-2-[[2-(trifluoromethoxy)anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxymethyl]anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 132035434
6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 132035500
3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136937424
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
CID 136937451
3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136937620
N-[3-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137038035
N-[3-fluoro-5-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137038224
3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137042478
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137102841

Frequently Asked Questions

What is the IUPAC name of (E)-4-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one?
The IUPAC name of (E)-4-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one (CID 158163138) is (E)-4-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one.
What is the SMILES notation for (E)-4-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one?
The canonical SMILES for (E)-4-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one is CC(=O)/C=C/c1c[nH]c2ncc(-c3ccc(F)cc3F)cc12.CC(=O)/C=C/c1c[nH]c2ncc(-c3ccccc3)cc12.CC(=O)/C=C/c1c[nH]c2ncc(-c3ccn(-c4ccccc4)n3)cc12.CC(=O)/C=C/c1c[nH]c2ncc(-c3cnn(C)c3)cc12.CC(=O)/C=C/c1c[nH]c2ncc(CC(C)C)cc12.CC(=O)/C=C/c1c[nH]c2ncc(OC(C)C)cc12.
What is the InChIKey of (E)-4-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one?
The InChIKey is FWNFYOLHHBCXGA-VDFDYIHWSA-N. The full InChI is InChI=1S/C20H16N4O.C17H12F2N2O.C17H14N2O.C15H14N4O.C15H18N2O.C14H16N2O2/c1-14(25)7-8-15-12-21-20-18(15)11-16(13-22-20)19-9-10-24(23-19)17-5-3-2-4-6-17;1-10(22)2-3-11-8-20-17-15(11)6-12(9-21-17)14-5-4-13(18)7-16(14)19;1-12(20)7-8-14-10-18-17-16(14)9-15(11-19-17)13-5-3-2-4-6-13;1-10(20)3-4-11-6-16-15-14(11)5-12(7-17-15)13-8-18-19(2)9-13;1-10(2)6-12-7-14-13(5-4-11(3)18)9-17-15(14)16-8-12;1-9(2)18-12-6-13-11(5-4-10(3)17)7-15-14(13)16-8-12/h2-13H,1H3,(H,21,22);2-9H,1H3,(H,20,21);2-11H,1H3,(H,18,19);3-9H,1-2H3,(H,16,17);4-5,7-10H,6H2,1-3H3,(H,16,17);4-9H,1-3H3,(H,15,16)/b8-7+;3-2+;8-7+;4-3+;2*5-4+.
What are the key properties of (E)-4-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one?
(E)-4-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one has a molecular weight of 1641.90 g/mol, XLogP of 20.84, 21 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-[5-(1-phenylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-3-en-2-one;(E)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one;(E)-4-(5-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-one is sourced from PubChem (CID 158163138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).