6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid)

C91H104F14N22O13 — CID 158218499

IUPAC6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid)
SMILESC.C.Cc1c(F)ccc(C(=O)Nc2nn(C)c3nc(N4CCCC4)ccc23)c1F.Cc1ccc(Cn2nc(NC(=O)C3CCOCC3)c3ccc(N4CCCC4)nc32)cc1.Cn1nc(C(=O)Nc2ccccn2)c2ccc(N3CCCCCC3)nc21.Cn1nc(C(=O)Nc2cccnc2)c2ccc(N3CCCCCC3)nc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H29N5O2.C19H19F2N5O.2C19H22N6O.4C2HF3O2.2CH4/c1-17-4-6-18(7-5-17)16-29-23-20(8-9-21(25-23)28-12-2-3-13-28)22(27-29)26-24(30)19-10-14-31-15-11-19;1-11-14(20)7-5-12(16(11)21)19(27)23-17-13-6-8-15(26-9-3-4-10-26)22-18(13)25(2)24-17;1-24-18-14(9-10-16(22-18)25-12-6-2-3-7-13-25)17(23-24)19(26)21-15-8-4-5-11-20-15;1-24-18-15(8-9-16(22-18)25-11-4-2-3-5-12-25)17(23-24)19(26)21-14-7-6-10-20-13-14;4*3-2(4,5)1(6)7;;/h4-9,19H,2-3,10-16H2,1H3,(H,26,27,30);5-8H,3-4,9-10H2,1-2H3,(H,23,24,27);4-5,8-11H,2-3,6-7,12-13H2,1H3,(H,20,21,26);6-10,13H,2-5,11-12H2,1H3,(H,21,26);4*(H,6,7);2*1H4
InChIKeyCDZVURCETSNAHO-UHFFFAOYSA-N
MW1979.95 g/mol
LogP16.96
Rot. Bonds14

About 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid)

6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid) (PubChem CID 158218499) has the molecular formula C91H104F14N22O13 and a molecular weight of 1979.95 g/mol. Its IUPAC name is 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid)
PubChem CID158218499
Molecular FormulaC91H104F14N22O13
Molecular Weight1979.95 g/mol
Exact Mass1978.79
IUPAC Name6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid)
SMILESC.C.Cc1c(F)ccc(C(=O)Nc2nn(C)c3nc(N4CCCC4)ccc23)c1F.Cc1ccc(Cn2nc(NC(=O)C3CCOCC3)c3ccc(N4CCCC4)nc32)cc1.Cn1nc(C(=O)Nc2ccccn2)c2ccc(N3CCCCCC3)nc21.Cn1nc(C(=O)Nc2cccnc2)c2ccc(N3CCCCCC3)nc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H29N5O2.C19H19F2N5O.2C19H22N6O.4C2HF3O2.2CH4/c1-17-4-6-18(7-5-17)16-29-23-20(8-9-21(25-23)28-12-2-3-13-28)22(27-29)26-24(30)19-10-14-31-15-11-19;1-11-14(20)7-5-12(16(11)21)19(27)23-17-13-6-8-15(26-9-3-4-10-26)22-18(13)25(2)24-17;1-24-18-14(9-10-16(22-18)25-12-6-2-3-7-13-25)17(23-24)19(26)21-15-8-4-5-11-20-15;1-24-18-15(8-9-16(22-18)25-11-4-2-3-5-12-25)17(23-24)19(26)21-14-7-6-10-20-13-14;4*3-2(4,5)1(6)7;;/h4-9,19H,2-3,10-16H2,1H3,(H,26,27,30);5-8H,3-4,9-10H2,1-2H3,(H,23,24,27);4-5,8-11H,2-3,6-7,12-13H2,1H3,(H,20,21,26);6-10,13H,2-5,11-12H2,1H3,(H,21,26);4*(H,6,7);2*1H4
InChIKeyCDZVURCETSNAHO-UHFFFAOYSA-N
XLogP16.96
TPSA436.41 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds14
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001979.95
LogP ≤ 516.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

2-[4-[[8-(8-Benzoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[2-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]phenyl]acetonitrile;2-[3-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]phenyl]acetonitrile;4,4,4-trifluoro-2,2-dimethyl-1-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 157775313
1-[6-(azepan-1-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-cyclohexylethanone;[6-(azepan-1-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-(4-ethylpiperidin-1-yl)methanone;[6-(azepan-1-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone;[6-(azepan-1-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methanone;[6-(azepan-1-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-piperidin-1-ylmethanone;1-[6-(dimethylamino)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2-pyridin-3-ylethanone;1-[1-methyl-6-(2-methylpropylamino)pyrazolo[5,4-b]pyridin-3-yl]-2-pyridin-3-ylethanone;tris(2,2,2-trifluoroacetic acid)
CID 158108982
2-methyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;4-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]benzamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-3-carboxamide;2-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyridine-2-carboxamide
CID 159366822
4-[4-amino-1-[(3R)-1-[(E)-4-(methylamino)but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;tert-butyl N-[(E)-4-[(3R)-3-[4-amino-3-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]-4-oxobut-2-enyl]-N-methylcarbamate;methanol
CID 159422578
ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-4-carboxylate;1-N-(pyridin-2-ylmethyl)-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;1-N-(pyridin-4-ylmethyl)-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;1-N-pyridin-3-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-4-carboxylic acid
CID 159679186
1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]piperidine-4-carboxylate;6-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-N-(pyridin-3-ylmethyl)-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
CID 159948535
2-[4-[[8-(8-Benzoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[2-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]phenyl]acetonitrile;2-[3-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]phenyl]acetonitrile;2-[1-[[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methyl]cyclopropyl]acetonitrile;4,4,4-trifluoro-2,2-dimethyl-1-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 160002531
3-[[1-[2-[4-[[8-[8-[3-(1,1-Difluoroethyl)azetidine-1-carbonyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetyl]piperidin-4-yl]amino]-2,2-dimethylpropanenitrile;3-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]benzonitrile
CID 160013521
CID 160202681
CID 160202681
3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide
CID 160388226
2-(1-cyanocyclopropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 160918856
N-[6-(azepan-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]benzamide;N-[6-(azepan-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]cyclohexanecarboxamide;6-(azepan-1-yl)-1-[(4-methylphenyl)methyl]-3-(pyridin-4-ylmethoxymethyl)pyrazolo[3,4-b]pyridine;ethyl (2R)-1-[3-(2-piperidin-4-ylacetyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidine-2-carboxylate;pentakis(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one
CID 161291608

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid) (CID 158218499) is 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid) is C.C.Cc1c(F)ccc(C(=O)Nc2nn(C)c3nc(N4CCCC4)ccc23)c1F.Cc1ccc(Cn2nc(NC(=O)C3CCOCC3)c3ccc(N4CCCC4)nc32)cc1.Cn1nc(C(=O)Nc2ccccn2)c2ccc(N3CCCCCC3)nc21.Cn1nc(C(=O)Nc2cccnc2)c2ccc(N3CCCCCC3)nc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid)?
The InChIKey is CDZVURCETSNAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2.C19H19F2N5O.2C19H22N6O.4C2HF3O2.2CH4/c1-17-4-6-18(7-5-17)16-29-23-20(8-9-21(25-23)28-12-2-3-13-28)22(27-29)26-24(30)19-10-14-31-15-11-19;1-11-14(20)7-5-12(16(11)21)19(27)23-17-13-6-8-15(26-9-3-4-10-26)22-18(13)25(2)24-17;1-24-18-14(9-10-16(22-18)25-12-6-2-3-7-13-25)17(23-24)19(26)21-15-8-4-5-11-20-15;1-24-18-15(8-9-16(22-18)25-11-4-2-3-5-12-25)17(23-24)19(26)21-14-7-6-10-20-13-14;4*3-2(4,5)1(6)7;;/h4-9,19H,2-3,10-16H2,1H3,(H,26,27,30);5-8H,3-4,9-10H2,1-2H3,(H,23,24,27);4-5,8-11H,2-3,6-7,12-13H2,1H3,(H,20,21,26);6-10,13H,2-5,11-12H2,1H3,(H,21,26);4*(H,6,7);2*1H4.
What are the key properties of 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid)?
6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid) has a molecular weight of 1979.95 g/mol, XLogP of 16.96, 14 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-1-methyl-N-pyridin-2-ylpyrazolo[5,4-b]pyridine-3-carboxamide;6-(azepan-1-yl)-1-methyl-N-pyridin-3-ylpyrazolo[5,4-b]pyridine-3-carboxamide;2,4-difluoro-3-methyl-N-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)benzamide;methane;N-[1-[(4-methylphenyl)methyl]-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl]oxane-4-carboxamide;tetrakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 158218499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).