N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile

C89H65N19O3 — CID 159901679

IUPACN,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile
SMILESCN(C)C(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.N#Cc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.N#Cc1ccc(-c2cnc3[nH]cc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)c3c2)cc1.O=C(O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1
InChIInChI=1S/C36H25N5.C19H17N5O.C17H11N5.C17H12N4O2/c37-21-26-16-18-27(19-17-26)28-20-33-34(24-39-35(33)38-22-28)29-23-40-41(25-29)36(30-10-4-1-5-11-30,31-12-6-2-7-13-31)32-14-8-3-9-15-32;1-24(2)19(25)13-5-3-12(4-6-13)14-7-16-17(15-9-22-23-10-15)11-21-18(16)20-8-14;18-6-11-1-3-12(4-2-11)13-5-15-16(14-8-21-22-9-14)10-20-17(15)19-7-13;22-17(23)11-3-1-10(2-4-11)12-5-14-15(13-7-20-21-8-13)9-19-16(14)18-6-12/h1-20,22-25H,(H,38,39);3-11H,1-2H3,(H,20,21)(H,22,23);1-5,7-10H,(H,19,20)(H,21,22);1-9H,(H,18,19)(H,20,21)(H,22,23)
InChIKeyNWAQRKQMYOAYLG-UHFFFAOYSA-N
MW1448.63 g/mol
LogP17.94
Rot. Bonds14

About N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile

N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile (PubChem CID 159901679) has the molecular formula C89H65N19O3 and a molecular weight of 1448.63 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile
PubChem CID159901679
Molecular FormulaC89H65N19O3
Molecular Weight1448.63 g/mol
Exact Mass1447.55
IUPAC NameN,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile
SMILESCN(C)C(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.N#Cc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.N#Cc1ccc(-c2cnc3[nH]cc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)c3c2)cc1.O=C(O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1
InChIInChI=1S/C36H25N5.C19H17N5O.C17H11N5.C17H12N4O2/c37-21-26-16-18-27(19-17-26)28-20-33-34(24-39-35(33)38-22-28)29-23-40-41(25-29)36(30-10-4-1-5-11-30,31-12-6-2-7-13-31)32-14-8-3-9-15-32;1-24(2)19(25)13-5-3-12(4-6-13)14-7-16-17(15-9-22-23-10-15)11-21-18(16)20-8-14;18-6-11-1-3-12(4-2-11)13-5-15-16(14-8-21-22-9-14)10-20-17(15)19-7-13;22-17(23)11-3-1-10(2-4-11)12-5-14-15(13-7-20-21-8-13)9-19-16(14)18-6-12/h1-20,22-25H,(H,38,39);3-11H,1-2H3,(H,20,21)(H,22,23);1-5,7-10H,(H,19,20)(H,21,22);1-9H,(H,18,19)(H,20,21)(H,22,23)
InChIKeyNWAQRKQMYOAYLG-UHFFFAOYSA-N
XLogP17.94
TPSA323.77 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001448.63
LogP ≤ 517.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile with MolForge

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Related Compounds

4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;N,N-dimethyl-4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile
CID 157715233
4-[1-(benzenesulfonyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-(benzenesulfonyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;ethyl 4-[1-(benzenesulfonyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]benzoate;ethyl 4-[1-(benzenesulfonyl)-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]benzoate
CID 157908292
4-[6-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;4-[6-[4-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
CID 158626579
tert-butyl N-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;tert-butyl N-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;dihydrochloride
CID 158697817
4-hydroxy-1-[4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]phenyl]butan-1-one;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzamide;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;4-[2-oxo-3-[6-(1H-pyrazol-5-yl)imidazo[1,5-a]pyridin-5-yl]propyl]benzonitrile;4-[2-oxo-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(4-propanoylphenyl)propan-2-one
CID 159794822
N-methyl-5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
CID 159988595
N-methyl-4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxamide;4-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
CID 160179108
3-[8-methyl-7-[2-[1-(2-methylpropyl)piperidin-4-yl]-8-(1H-pyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-5-yl]pyrrolo[2,3-c][2,6]naphthyridin-9-yl]benzoic acid
CID 168926690

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile?
The IUPAC name of N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile (CID 159901679) is N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile.
What is the SMILES notation for N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile?
The canonical SMILES for N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile is CN(C)C(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.N#Cc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.N#Cc1ccc(-c2cnc3[nH]cc(-c4cnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4)c3c2)cc1.O=C(O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile?
The InChIKey is NWAQRKQMYOAYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N5.C19H17N5O.C17H11N5.C17H12N4O2/c37-21-26-16-18-27(19-17-26)28-20-33-34(24-39-35(33)38-22-28)29-23-40-41(25-29)36(30-10-4-1-5-11-30,31-12-6-2-7-13-31)32-14-8-3-9-15-32;1-24(2)19(25)13-5-3-12(4-6-13)14-7-16-17(15-9-22-23-10-15)11-21-18(16)20-8-14;18-6-11-1-3-12(4-2-11)13-5-15-16(14-8-21-22-9-14)10-20-17(15)19-7-13;22-17(23)11-3-1-10(2-4-11)12-5-14-15(13-7-20-21-8-13)9-19-16(14)18-6-12/h1-20,22-25H,(H,38,39);3-11H,1-2H3,(H,20,21)(H,22,23);1-5,7-10H,(H,19,20)(H,21,22);1-9H,(H,18,19)(H,20,21)(H,22,23).
What are the key properties of N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile?
N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile has a molecular weight of 1448.63 g/mol, XLogP of 17.94, 14 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoic acid;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile;4-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 159901679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).