N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,7-naphthyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane

C103H121FN24O11 — CID 167708845

IUPACN-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,7-naphthyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane
SMILESCC.CC.CC.CC.CC.CC.N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2[nH]c(-c3ccc(CO)cc3)cc12.N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2[nH]c(-c3ccc(F)cc3)cc12.N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2[nH]ccc12.N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12.N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2cnccc12
InChIInChI=1S/C22H21N5O3.C21H18FN5O2.C17H16N4O2.C16H15N5O2.C15H15N5O2.6C2H6/c23-11-16-2-1-9-27(16)20(29)12-25-22(30)17-7-8-24-21-18(17)10-19(26-21)15-5-3-14(13-28)4-6-15;22-14-5-3-13(4-6-14)18-10-17-16(7-8-24-20(17)26-18)21(29)25-12-19(28)27-9-1-2-15(27)11-23;18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15;17-8-11-2-1-7-21(11)15(22)10-20-16(23)13-4-6-19-14-9-18-5-3-12(13)14;16-8-10-2-1-7-20(10)13(21)9-19-15(22)12-4-6-18-14-11(12)3-5-17-14;6*1-2/h3-8,10,16,28H,1-2,9,12-13H2,(H,24,26)(H,25,30);3-8,10,15H,1-2,9,12H2,(H,24,26)(H,25,29);1-2,5-8,12H,3-4,9,11H2,(H,20,23);3-6,9,11H,1-2,7,10H2,(H,20,23);3-6,10H,1-2,7,9H2,(H,17,18)(H,19,22);6*1-2H3/t16-;15-;12-;11-;10-;;;;;;/m00000....../s1
InChIKeyZNBRLQJLRABVKR-LMELNPOLSA-N
MW1890.26 g/mol
LogP13.90
Rot. Bonds18

About N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,7-naphthyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane

N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,7-naphthyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane (PubChem CID 167708845) has the molecular formula C103H121FN24O11 and a molecular weight of 1890.26 g/mol. Its IUPAC name is N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,7-naphthyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane.

Molecular Properties

Compound NameN-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,7-naphthyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane
PubChem CID167708845
Molecular FormulaC103H121FN24O11
Molecular Weight1890.26 g/mol
Exact Mass1888.96
IUPAC NameN-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,7-naphthyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane
SMILESCC.CC.CC.CC.CC.CC.N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2[nH]c(-c3ccc(CO)cc3)cc12.N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2[nH]c(-c3ccc(F)cc3)cc12.N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2[nH]ccc12.N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12.N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2cnccc12
InChIInChI=1S/C22H21N5O3.C21H18FN5O2.C17H16N4O2.C16H15N5O2.C15H15N5O2.6C2H6/c23-11-16-2-1-9-27(16)20(29)12-25-22(30)17-7-8-24-21-18(17)10-19(26-21)15-5-3-14(13-28)4-6-15;22-14-5-3-13(4-6-14)18-10-17-16(7-8-24-20(17)26-18)21(29)25-12-19(28)27-9-1-2-15(27)11-23;18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15;17-8-11-2-1-7-21(11)15(22)10-20-16(23)13-4-6-19-14-9-18-5-3-12(13)14;16-8-10-2-1-7-20(10)13(21)9-19-15(22)12-4-6-18-14-11(12)3-5-17-14;6*1-2/h3-8,10,16,28H,1-2,9,12-13H2,(H,24,26)(H,25,30);3-8,10,15H,1-2,9,12H2,(H,24,26)(H,25,29);1-2,5-8,12H,3-4,9,11H2,(H,20,23);3-6,9,11H,1-2,7,10H2,(H,20,23);3-6,10H,1-2,7,9H2,(H,17,18)(H,19,22);6*1-2H3/t16-;15-;12-;11-;10-;;;;;;/m00000....../s1
InChIKeyZNBRLQJLRABVKR-LMELNPOLSA-N
XLogP13.90
TPSA510.94 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001890.26
LogP ≤ 513.90
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Analyze N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,7-naphthyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane with MolForge

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Related Compounds

3-[5-[2-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]ethyl]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146410985
acetic acid;N-(2-amino-5-bromo-3-pyridinyl)-1-(4-ethenylphenyl)-3,3-difluorocyclobutane-1-carboxamide;6-bromo-2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-cyclohexylbenzamide;cyclohexanamine;2-[3,3-difluoro-1-(4-formylphenyl)cyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile;2-[1-(4-ethenylphenyl)-3,3-difluorocyclobutyl]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
CID 158911375
4-[3-[4-(4-acetylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine-6-carbonitrile;3-[4-[2,5-dimethyl-3-(2H-pyrrol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;1-[4-[2-[6-[4-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[6-(2-isocyanophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 158987950
4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]benzamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethyl)benzamide;3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethyl)-N-methylbenzamide;[4-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-5-yl]phenyl]methanol
CID 157557205
N-[2-(dimethylamino)ethyl]-3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxamide;bis(N',N'-dimethylethane-1,2-diamine);3-fluoro-5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid;5-(12-fluoro-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)pyridine-2-carboxylic acid
CID 158105406
1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-3-carbonitrile;1-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-2-(hydroxymethyl)phenyl]-6-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-3-carboxamide;6-[(dimethylamino)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;6-ethenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;6-formyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 158121995
4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide;molecular hydrogen
CID 158878461
N-butyl-4-formylindole-1-carboxamide;bis(N-butyl-4-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indole-1-carboxamide);1H-indole-4-carbaldehyde;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 159337469
7-[2-(2-acetyl-1-methylimidazol-4-yl)acetyl]-4,4-dimethyl-2,3-dihydropyrazino[1,2-a]indol-1-one;N-tert-butyl-4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxamide;4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indole-7-carboxylic acid;4-[2-(4,4-dimethyl-1-oxo-2,3-dihydropyrazino[1,2-a]indol-7-yl)-2-oxoethyl]-1-methylimidazole-2-carboxylic acid
CID 159746788
1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-fluoro-3-pyridinyl)propan-2-ol;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;5-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]pyridine-2-carboxamide;4-[1-hydroxy-2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]benzonitrile
CID 159946291
tert-butyl 4-[2-cyano-5-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]phenyl]pyrrolo[2,3-c]pyridine-1-carboxylate;tert-butyl 4-(2-cyano-5-methoxycarbonylphenyl)pyrrolo[2,3-c]pyridine-1-carboxylate;2-(7H-cyclopenta[c]pyridin-4-yl)-4-[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridine-2-carbonyl]benzonitrile;1-[3-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-5-yl]-N,N-dimethylpiperidin-4-amine;hydrochloride
CID 160008004
4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]benzonitrile;4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N-(3-hydroxypropyl)benzamide;[2-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methanol;N-[[4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]methyl]acetamide
CID 160543784

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,7-naphthyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane?
The IUPAC name of N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,7-naphthyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane (CID 167708845) is N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,7-naphthyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane.
What is the SMILES notation for N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,7-naphthyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane?
The canonical SMILES for N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,7-naphthyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane is CC.CC.CC.CC.CC.CC.N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2[nH]c(-c3ccc(CO)cc3)cc12.N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2[nH]c(-c3ccc(F)cc3)cc12.N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2[nH]ccc12.N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12.N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2cnccc12.
What is the InChIKey of N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,7-naphthyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane?
The InChIKey is ZNBRLQJLRABVKR-LMELNPOLSA-N. The full InChI is InChI=1S/C22H21N5O3.C21H18FN5O2.C17H16N4O2.C16H15N5O2.C15H15N5O2.6C2H6/c23-11-16-2-1-9-27(16)20(29)12-25-22(30)17-7-8-24-21-18(17)10-19(26-21)15-5-3-14(13-28)4-6-15;22-14-5-3-13(4-6-14)18-10-17-16(7-8-24-20(17)26-18)21(29)25-12-19(28)27-9-1-2-15(27)11-23;18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15;17-8-11-2-1-7-21(11)15(22)10-20-16(23)13-4-6-19-14-9-18-5-3-12(13)14;16-8-10-2-1-7-20(10)13(21)9-19-15(22)12-4-6-18-14-11(12)3-5-17-14;6*1-2/h3-8,10,16,28H,1-2,9,12-13H2,(H,24,26)(H,25,30);3-8,10,15H,1-2,9,12H2,(H,24,26)(H,25,29);1-2,5-8,12H,3-4,9,11H2,(H,20,23);3-6,9,11H,1-2,7,10H2,(H,20,23);3-6,10H,1-2,7,9H2,(H,17,18)(H,19,22);6*1-2H3/t16-;15-;12-;11-;10-;;;;;;/m00000....../s1.
What are the key properties of N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,7-naphthyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane?
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,7-naphthyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane has a molecular weight of 1890.26 g/mol, XLogP of 13.90, 18 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1,7-naphthyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide;ethane is sourced from PubChem (CID 167708845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).