4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-(dimethylamino)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

C102H95N24O8S2+ — CID 162252226

IUPAC4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-(dimethylamino)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESCCCNC(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.CCOC(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.CN(C)c1c[nH+]c2[nH]cc(-c3cnn(C(=O)c4ccccc4)c3)c2c1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)Cc5ccccc5)c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(C)(=O)=O)c4)c3c2)cc1
InChIInChI=1S/C25H23N5O2S.C20H19N5O.C19H19N5O2S.C19H17N5O.C19H16N4O2/c1-29(2)22-10-8-19(9-11-22)20-12-23-24(15-27-25(23)26-13-20)21-14-28-30(16-21)33(31,32)17-18-6-4-3-5-7-18;1-2-7-21-20(26)14-5-3-13(4-6-14)15-8-17-18(16-10-24-25-11-16)12-23-19(17)22-9-15;1-23(2)16-6-4-13(5-7-16)14-8-17-18(11-21-19(17)20-9-14)15-10-22-24(12-15)27(3,25)26;1-23(2)15-8-16-17(11-21-18(16)20-10-15)14-9-22-24(12-14)19(25)13-6-4-3-5-7-13;1-2-25-19(24)13-5-3-12(4-6-13)14-7-16-17(15-9-22-23-10-15)11-21-18(16)20-8-14/h3-16H,17H2,1-2H3,(H,26,27);3-6,8-12H,2,7H2,1H3,(H,21,26)(H,22,23)(H,24,25);4-12H,1-3H3,(H,20,21);3-12H,1-2H3,(H,20,21);3-11H,2H2,1H3,(H,20,21)(H,22,23)/p+1
InChIKeyFXXIINZYJQORCY-UHFFFAOYSA-O
MW1849.18 g/mol
LogP17.66
Rot. Bonds22

About 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-(dimethylamino)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-(dimethylamino)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (PubChem CID 162252226) has the molecular formula C102H95N24O8S2+ and a molecular weight of 1849.18 g/mol. Its IUPAC name is 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-(dimethylamino)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-(dimethylamino)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
PubChem CID162252226
Molecular FormulaC102H95N24O8S2+
Molecular Weight1849.18 g/mol
Exact Mass1847.72
IUPAC Name4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-(dimethylamino)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESCCCNC(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.CCOC(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.CN(C)c1c[nH+]c2[nH]cc(-c3cnn(C(=O)c4ccccc4)c3)c2c1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)Cc5ccccc5)c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(C)(=O)=O)c4)c3c2)cc1
InChIInChI=1S/C25H23N5O2S.C20H19N5O.C19H19N5O2S.C19H17N5O.C19H16N4O2/c1-29(2)22-10-8-19(9-11-22)20-12-23-24(15-27-25(23)26-13-20)21-14-28-30(16-21)33(31,32)17-18-6-4-3-5-7-18;1-2-7-21-20(26)14-5-3-13(4-6-14)15-8-17-18(16-10-24-25-11-16)12-23-19(17)22-9-15;1-23(2)16-6-4-13(5-7-16)14-8-17-18(11-21-19(17)20-9-14)15-10-22-24(12-15)27(3,25)26;1-23(2)15-8-16-17(11-21-18(16)20-10-15)14-9-22-24(12-14)19(25)13-6-4-3-5-7-13;1-2-25-19(24)13-5-3-12(4-6-13)14-7-16-17(15-9-22-23-10-15)11-21-18(16)20-8-14/h3-16H,17H2,1-2H3,(H,26,27);3-6,8-12H,2,7H2,1H3,(H,21,26)(H,22,23)(H,24,25);4-12H,1-3H3,(H,20,21);3-12H,1-2H3,(H,20,21);3-11H,2H2,1H3,(H,20,21)(H,22,23)/p+1
InChIKeyFXXIINZYJQORCY-UHFFFAOYSA-O
XLogP17.66
TPSA405.94 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001849.18
LogP ≤ 517.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-(dimethylamino)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide 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-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 158797649
3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one)
CID 159432065
3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one)
CID 159809822
[4-[1-(benzenesulfonyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]phenyl]-trimethylazanium;ethyl 4-[1-(benzenesulfonyl)-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]benzoate;ethyl 4-[1-[dihydroxy(phenyl)-lambda4-sulfanyl]-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]benzoate
CID 160019255
3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one);methane
CID 160559393
4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethylpiperidine-1-carboxamide;4-[7-amino-6-isocyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;6-bromo-5-(1-propylsulfonylpiperidin-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;methyl 4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 160565809
N-benzyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one
CID 160676591
3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]hexan-1-one;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-4-phenylbutan-1-one;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one
CID 160922332
1-[3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;ethyl 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylate;N-methyl-4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxamide;4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylic acid;3-[4-(1-methylpyrazol-4-yl)phenyl]-5-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine;1-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile
CID 161305330
3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;N-butyl-3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3,5-dimethyl-N-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazole-1-carboxamide;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one;1-[(Z)-4-imino-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pent-2-en-2-yl]-3-(2-phenylethyl)urea
CID 161518583

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-(dimethylamino)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The IUPAC name of 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-(dimethylamino)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (CID 162252226) is 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-(dimethylamino)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-(dimethylamino)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The canonical SMILES for 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-(dimethylamino)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is CCCNC(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.CCOC(=O)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.CN(C)c1c[nH+]c2[nH]cc(-c3cnn(C(=O)c4ccccc4)c3)c2c1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(=O)(=O)Cc5ccccc5)c4)c3c2)cc1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(S(C)(=O)=O)c4)c3c2)cc1.
What is the InChIKey of 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-(dimethylamino)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The InChIKey is FXXIINZYJQORCY-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H23N5O2S.C20H19N5O.C19H19N5O2S.C19H17N5O.C19H16N4O2/c1-29(2)22-10-8-19(9-11-22)20-12-23-24(15-27-25(23)26-13-20)21-14-28-30(16-21)33(31,32)17-18-6-4-3-5-7-18;1-2-7-21-20(26)14-5-3-13(4-6-14)15-8-17-18(16-10-24-25-11-16)12-23-19(17)22-9-15;1-23(2)16-6-4-13(5-7-16)14-8-17-18(11-21-19(17)20-9-14)15-10-22-24(12-15)27(3,25)26;1-23(2)15-8-16-17(11-21-18(16)20-10-15)14-9-22-24(12-14)19(25)13-6-4-3-5-7-13;1-2-25-19(24)13-5-3-12(4-6-13)14-7-16-17(15-9-22-23-10-15)11-21-18(16)20-8-14/h3-16H,17H2,1-2H3,(H,26,27);3-6,8-12H,2,7H2,1H3,(H,21,26)(H,22,23)(H,24,25);4-12H,1-3H3,(H,20,21);3-12H,1-2H3,(H,20,21);3-11H,2H2,1H3,(H,20,21)(H,22,23)/p+1.
What are the key properties of 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-(dimethylamino)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-(dimethylamino)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide has a molecular weight of 1849.18 g/mol, XLogP of 17.66, 22 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;[4-[5-(dimethylamino)-1H-pyrrolo[2,3-b]pyridin-7-ium-3-yl]pyrazol-1-yl]-phenylmethanone;N,N-dimethyl-4-[3-(1-methylsulfonylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline;ethyl 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzoate;N-propyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 162252226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).