3-(2-chlorophenyl)-1-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(2-methylpropanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-(3-phenylpropyl)pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide

C104H91Cl5N24O8 — CID 159734956

IUPAC3-(2-chlorophenyl)-1-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(2-methylpropanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-(3-phenylpropyl)pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-n2cc(-c3ncc[nH]3)c(-c3ccccc3Cl)n2)ccn1.CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)c2)c(C)cn1.Cc1cnc(CC(=O)C2CC2)cc1-n1cc(C(N)=O)c(-c2ccccc2Cl)n1.Cc1cnc(NC(=O)C(C)C)cc1-n1cc(C(N)=O)c(-c2ccccc2Cl)c1.O=C(O)c1cn(-c2ccnc(CCCc3ccccc3)n2)nc1-c1ccccc1Cl
InChIInChI=1S/C23H19ClN4O2.C21H19ClN4O2.C21H21ClN4O2.C20H17ClN6O.C19H15ClN6O/c24-19-11-5-4-10-17(19)22-18(23(29)30)15-28(27-22)21-13-14-25-20(26-21)12-6-9-16-7-2-1-3-8-16;1-12-10-24-14(9-19(27)13-6-7-13)8-18(12)26-11-16(21(23)28)20(25-26)15-4-2-3-5-17(15)22;1-12(2)21(28)25-19-8-18(13(3)9-24-19)26-10-15(16(11-26)20(23)27)14-6-4-5-7-17(14)22;1-12-8-22-19(25-13(2)28)7-18(12)27-9-15(14-5-3-4-6-17(14)21)16(10-27)20-23-11-24-26-20;1-12(27)24-17-10-13(6-7-21-17)26-11-15(19-22-8-9-23-19)18(25-26)14-4-2-3-5-16(14)20/h1-5,7-8,10-11,13-15H,6,9,12H2,(H,29,30);2-5,8,10-11,13H,6-7,9H2,1H3,(H2,23,28);4-12H,1-3H3,(H2,23,27)(H,24,25,28);3-11H,1-2H3,(H,22,25,28)(H,23,24,26);2-11H,1H3,(H,22,23)(H,21,24,27)
InChIKeyNBSHKFFADXDMCQ-UHFFFAOYSA-N
MW1982.30 g/mol
LogP20.75
Rot. Bonds26

About 3-(2-chlorophenyl)-1-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(2-methylpropanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-(3-phenylpropyl)pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide

3-(2-chlorophenyl)-1-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(2-methylpropanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-(3-phenylpropyl)pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide (PubChem CID 159734956) has the molecular formula C104H91Cl5N24O8 and a molecular weight of 1982.30 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(2-methylpropanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-(3-phenylpropyl)pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(2-methylpropanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-(3-phenylpropyl)pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide
PubChem CID159734956
Molecular FormulaC104H91Cl5N24O8
Molecular Weight1982.30 g/mol
Exact Mass1978.59
IUPAC Name3-(2-chlorophenyl)-1-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(2-methylpropanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-(3-phenylpropyl)pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-n2cc(-c3ncc[nH]3)c(-c3ccccc3Cl)n2)ccn1.CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)c2)c(C)cn1.Cc1cnc(CC(=O)C2CC2)cc1-n1cc(C(N)=O)c(-c2ccccc2Cl)n1.Cc1cnc(NC(=O)C(C)C)cc1-n1cc(C(N)=O)c(-c2ccccc2Cl)c1.O=C(O)c1cn(-c2ccnc(CCCc3ccccc3)n2)nc1-c1ccccc1Cl
InChIInChI=1S/C23H19ClN4O2.C21H19ClN4O2.C21H21ClN4O2.C20H17ClN6O.C19H15ClN6O/c24-19-11-5-4-10-17(19)22-18(23(29)30)15-28(27-22)21-13-14-25-20(26-21)12-6-9-16-7-2-1-3-8-16;1-12-10-24-14(9-19(27)13-6-7-13)8-18(12)26-11-16(21(23)28)20(25-26)15-4-2-3-5-17(15)22;1-12(2)21(28)25-19-8-18(13(3)9-24-19)26-10-15(16(11-26)20(23)27)14-6-4-5-7-17(14)22;1-12-8-22-19(25-13(2)28)7-18(12)27-9-15(14-5-3-4-6-17(14)21)16(10-27)20-23-11-24-26-20;1-12(27)24-17-10-13(6-7-21-17)26-11-15(19-22-8-9-23-19)18(25-26)14-4-2-3-5-16(14)20/h1-5,7-8,10-11,13-15H,6,9,12H2,(H,29,30);2-5,8,10-11,13H,6-7,9H2,1H3,(H2,23,28);4-12H,1-3H3,(H2,23,27)(H,24,25,28);3-11H,1-2H3,(H,22,25,28)(H,23,24,26);2-11H,1H3,(H,22,23)(H,21,24,27)
InChIKeyNBSHKFFADXDMCQ-UHFFFAOYSA-N
XLogP20.75
TPSA438.76 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001982.30
LogP ≤ 520.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 3-(2-chlorophenyl)-1-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(2-methylpropanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-(3-phenylpropyl)pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate
CID 161095109
5-[[5-amino-1-[4-[5-amino-4-[[1-(2,6-dichlorophenyl)-4-isocyanopyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(2,6-dichlorophenyl)pyrazole-4-carbonitrile;5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-3-methyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-3-methyl-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[[5-amino-1-[4-[5-amino-4-[(4-isocyano-1-phenylpyrazol-5-yl)diazenyl]-3-methylpyrazol-1-yl]-6-hydroxy-1,3,5-triazin-2-yl]-3-methylpyrazol-4-yl]diazenyl]-1-phenylpyrazole-4-carbonitrile;4-[3-[3-[5-[[5-amino-1-[2-(2-carboxyethylamino)-6-oxo-1H-1,3,5-triazin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-(4-carboxyphenyl)-4-isocyanopyrazol-3-yl]propyl]-5-[[5-amino-3-methyl-1-(2-methyl-6-oxo-1H-1,3,5-triazin-4-yl)pyrazol-4-yl]diazenyl]-4-cyanopyrazol-1-yl]benzoic acid
CID 157612116
Benzyl 1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-(2-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;carbon dioxide;3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazol-4-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2-methoxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;hydrochloride
CID 157747770
CID 157881150
CID 157881150
N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]propanamide;N-[4-[3-(2-isocyanophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;2-methoxyethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-chloro-2-pyridinyl]carbamate;N-[5-methyl-4-[3-phenyl-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]acetamide
CID 157920234
N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;2-fluoroethyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;2-fluoroethyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;methyl N-[4-[3-carbamoyl-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate
CID 158027625
bis((E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[3-phenyl-2-(5-pyridin-3-yl-1H-imidazol-2-yl)piperidin-1-yl]prop-2-en-1-one);4-[2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]-3-phenylpiperidin-2-yl]-2-oxoethyl]benzoic acid;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-(3-fluorophenyl)piperidin-2-yl]-2-oxoethyl]benzoic acid
CID 158392363
1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 158435258
1-[7-[(2R)-butan-2-yl]-2-chloropyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]propan-2-one;tert-butyl N-[(1S)-1-[2-chloro-6-[3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2-oxopropyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-N-methylcarbamate;2-chloro-7-[(1S)-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 158576063
1-(2-acetamido-5-methyl-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-[2-chloro-5-[(dimethylamino)methyl]phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[2-(cyclopropanecarbonylamino)-5-methyl-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-fluoro-2-pyridinyl]acetamide
CID 158852500
6-(2-chloro-6-methyl-4-pyridinyl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one
CID 158929102
1-(2-acetamido-4-pyridinyl)-3-(2,4-dichlorophenyl)pyrazole-4-carboxamide;N-[5-bromo-4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]carbamate
CID 159482370

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(2-methylpropanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-(3-phenylpropyl)pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide?
The IUPAC name of 3-(2-chlorophenyl)-1-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(2-methylpropanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-(3-phenylpropyl)pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide (CID 159734956) is 3-(2-chlorophenyl)-1-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(2-methylpropanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-(3-phenylpropyl)pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(2-methylpropanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-(3-phenylpropyl)pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(2-methylpropanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-(3-phenylpropyl)pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide is CC(=O)Nc1cc(-n2cc(-c3ncc[nH]3)c(-c3ccccc3Cl)n2)ccn1.CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)c2)c(C)cn1.Cc1cnc(CC(=O)C2CC2)cc1-n1cc(C(N)=O)c(-c2ccccc2Cl)n1.Cc1cnc(NC(=O)C(C)C)cc1-n1cc(C(N)=O)c(-c2ccccc2Cl)c1.O=C(O)c1cn(-c2ccnc(CCCc3ccccc3)n2)nc1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-1-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(2-methylpropanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-(3-phenylpropyl)pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide?
The InChIKey is NBSHKFFADXDMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2.C21H19ClN4O2.C21H21ClN4O2.C20H17ClN6O.C19H15ClN6O/c24-19-11-5-4-10-17(19)22-18(23(29)30)15-28(27-22)21-13-14-25-20(26-21)12-6-9-16-7-2-1-3-8-16;1-12-10-24-14(9-19(27)13-6-7-13)8-18(12)26-11-16(21(23)28)20(25-26)15-4-2-3-5-17(15)22;1-12(2)21(28)25-19-8-18(13(3)9-24-19)26-10-15(16(11-26)20(23)27)14-6-4-5-7-17(14)22;1-12-8-22-19(25-13(2)28)7-18(12)27-9-15(14-5-3-4-6-17(14)21)16(10-27)20-23-11-24-26-20;1-12(27)24-17-10-13(6-7-21-17)26-11-15(19-22-8-9-23-19)18(25-26)14-4-2-3-5-16(14)20/h1-5,7-8,10-11,13-15H,6,9,12H2,(H,29,30);2-5,8,10-11,13H,6-7,9H2,1H3,(H2,23,28);4-12H,1-3H3,(H2,23,27)(H,24,25,28);3-11H,1-2H3,(H,22,25,28)(H,23,24,26);2-11H,1H3,(H,22,23)(H,21,24,27).
What are the key properties of 3-(2-chlorophenyl)-1-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(2-methylpropanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-(3-phenylpropyl)pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide?
3-(2-chlorophenyl)-1-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(2-methylpropanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-(3-phenylpropyl)pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide has a molecular weight of 1982.30 g/mol, XLogP of 20.75, 26 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[2-(2-cyclopropyl-2-oxoethyl)-5-methyl-4-pyridinyl]pyrazole-4-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(2-methylpropanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;3-(2-chlorophenyl)-1-[2-(3-phenylpropyl)pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide is sourced from PubChem (CID 159734956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).