3-(2-chlorophenyl)-1-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(propanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]-2-methylpropanamide

C104H91Cl5N26O8 — CID 159532653

IUPAC3-(2-chlorophenyl)-1-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(propanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]-2-methylpropanamide
SMILESCC(=O)Nc1cc(-n2cc(-c3ccn[nH]3)c(-c3ccccc3Cl)n2)ccn1.CC(=O)Nc1cc(-n2cc(-c3ncc[nH]3)c(-c3ccccc3Cl)n2)c(C)cn1.CCC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)c(C)cn1.Cc1cnc(NC(=O)C(C)C)cc1-n1cc(-c2ncn[nH]2)c(-c2ccccc2Cl)c1.O=C(O)c1cn(-c2ccnc(CCCc3ccc(O)cc3)n2)nc1-c1ccccc1Cl
InChIInChI=1S/C23H19ClN4O3.C22H21ClN6O.C20H17ClN6O.C20H19ClN4O2.C19H15ClN6O/c24-19-6-2-1-5-17(19)22-18(23(30)31)14-28(27-22)21-12-13-25-20(26-21)7-3-4-15-8-10-16(29)11-9-15;1-13(2)22(30)27-20-8-19(14(3)9-24-20)29-10-16(15-6-4-5-7-18(15)23)17(11-29)21-25-12-26-28-21;1-12-10-24-18(25-13(2)28)9-17(12)27-11-15(20-22-7-8-23-20)19(26-27)14-5-3-4-6-16(14)21;1-3-19(26)24-18-8-17(12(2)9-23-18)25-10-14(15(11-25)20(22)27)13-6-4-5-7-16(13)21;1-12(27)23-18-10-13(6-8-21-18)26-11-15(17-7-9-22-24-17)19(25-26)14-4-2-3-5-16(14)20/h1-2,5-6,8-14,29H,3-4,7H2,(H,30,31);4-13H,1-3H3,(H,24,27,30)(H,25,26,28);3-11H,1-2H3,(H,22,23)(H,24,25,28);4-11H,3H2,1-2H3,(H2,22,27)(H,23,24,26);2-11H,1H3,(H,22,24)(H,21,23,27)
InChIKeyMDESBPXXEQXZFT-UHFFFAOYSA-N
MW2010.31 g/mol
LogP21.57
Rot. Bonds25

About 3-(2-chlorophenyl)-1-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(propanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]-2-methylpropanamide

3-(2-chlorophenyl)-1-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(propanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]-2-methylpropanamide (PubChem CID 159532653) has the molecular formula C104H91Cl5N26O8 and a molecular weight of 2010.31 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(propanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(propanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]-2-methylpropanamide
PubChem CID159532653
Molecular FormulaC104H91Cl5N26O8
Molecular Weight2010.31 g/mol
Exact Mass2006.60
IUPAC Name3-(2-chlorophenyl)-1-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(propanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]-2-methylpropanamide
SMILESCC(=O)Nc1cc(-n2cc(-c3ccn[nH]3)c(-c3ccccc3Cl)n2)ccn1.CC(=O)Nc1cc(-n2cc(-c3ncc[nH]3)c(-c3ccccc3Cl)n2)c(C)cn1.CCC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)c(C)cn1.Cc1cnc(NC(=O)C(C)C)cc1-n1cc(-c2ncn[nH]2)c(-c2ccccc2Cl)c1.O=C(O)c1cn(-c2ccnc(CCCc3ccc(O)cc3)n2)nc1-c1ccccc1Cl
InChIInChI=1S/C23H19ClN4O3.C22H21ClN6O.C20H17ClN6O.C20H19ClN4O2.C19H15ClN6O/c24-19-6-2-1-5-17(19)22-18(23(30)31)14-28(27-22)21-12-13-25-20(26-21)7-3-4-15-8-10-16(29)11-9-15;1-13(2)22(30)27-20-8-19(14(3)9-24-20)29-10-16(15-6-4-5-7-18(15)23)17(11-29)21-25-12-26-28-21;1-12-10-24-18(25-13(2)28)9-17(12)27-11-15(20-22-7-8-23-20)19(26-27)14-5-3-4-6-16(14)21;1-3-19(26)24-18-8-17(12(2)9-23-18)25-10-14(15(11-25)20(22)27)13-6-4-5-7-16(13)21;1-12(27)23-18-10-13(6-8-21-18)26-11-15(17-7-9-22-24-17)19(25-26)14-4-2-3-5-16(14)20/h1-2,5-6,8-14,29H,3-4,7H2,(H,30,31);4-13H,1-3H3,(H,24,27,30)(H,25,26,28);3-11H,1-2H3,(H,22,23)(H,24,25,28);4-11H,3H2,1-2H3,(H2,22,27)(H,23,24,26);2-11H,1H3,(H,22,24)(H,21,23,27)
InChIKeyMDESBPXXEQXZFT-UHFFFAOYSA-N
XLogP21.57
TPSA456.61 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002010.31
LogP ≤ 521.57
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

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

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Related Compounds

1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;bis(2-(2-methylpropyl)benzoic acid);2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole
CID 157570287
4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane
CID 158473686
CID 158608156
CID 158608156
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
potassium;6-chloro-N-cyclobutyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;1-[3-(cyclobutylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]indole-3-carboxylic acid;methyl 1-[3-(cyclobutylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]indole-3-carboxylate;methyl 1-[3-(cyclobutylcarbamoyl)-8-(methylamino)imidazo[1,2-b]pyridazin-6-yl]indole-3-carboxylate;methyl 2,3-dihydro-1H-indole-3-carboxylate;hydroxide
CID 158930970
1-[4-[4-(6-amino-2-pyridinyl)-3-(2-chlorophenyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methylpyridin-2-amine;N-[4-[3-(2-chloro-4-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate
CID 159496101
CID 159658319
CID 159658319
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
1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-[(dimethylamino)methyl]phenyl]pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-ethoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[4-(2-chlorophenyl)-3-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]propan-2-one;4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-1-[2-(cyclopropanecarbonylamino)-5-methyl-4-pyridinyl]pyrrole-3-carboxamide;N-[5-methyl-4-[3-(2-methylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide
CID 161166465
1-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[5-bromo-4-[5-bromo-3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;3-(2-chlorophenyl)-1-[5-methyl-2-(2-oxopropyl)-4-pyridinyl]pyrazole-4-carboxylic acid;4-(2-chlorophenyl)-1-[2-(2-oxopropyl)-4-pyridinyl]pyrazole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide
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(E)-1-(1H-benzimidazol-4-yl)-3-[(1R,4R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;(E)-1-(2H-benzotriazol-4-yl)-3-[(1R,4R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;(E)-1-(2-chlorophenyl)-3-[(1R,4R)-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;(E)-1-(5-fluoro-2-hydroxyphenyl)-3-[(1R,4R)-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;bis((E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one);(E)-1-(1H-indazol-7-yl)-3-[(1R,4R)-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one
CID 167593108

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(propanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]-2-methylpropanamide?
The IUPAC name of 3-(2-chlorophenyl)-1-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(propanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]-2-methylpropanamide (CID 159532653) is 3-(2-chlorophenyl)-1-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(propanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(propanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]-2-methylpropanamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(propanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]-2-methylpropanamide is CC(=O)Nc1cc(-n2cc(-c3ccn[nH]3)c(-c3ccccc3Cl)n2)ccn1.CC(=O)Nc1cc(-n2cc(-c3ncc[nH]3)c(-c3ccccc3Cl)n2)c(C)cn1.CCC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)c(C)cn1.Cc1cnc(NC(=O)C(C)C)cc1-n1cc(-c2ncn[nH]2)c(-c2ccccc2Cl)c1.O=C(O)c1cn(-c2ccnc(CCCc3ccc(O)cc3)n2)nc1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-1-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(propanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]-2-methylpropanamide?
The InChIKey is MDESBPXXEQXZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3.C22H21ClN6O.C20H17ClN6O.C20H19ClN4O2.C19H15ClN6O/c24-19-6-2-1-5-17(19)22-18(23(30)31)14-28(27-22)21-12-13-25-20(26-21)7-3-4-15-8-10-16(29)11-9-15;1-13(2)22(30)27-20-8-19(14(3)9-24-20)29-10-16(15-6-4-5-7-18(15)23)17(11-29)21-25-12-26-28-21;1-12-10-24-18(25-13(2)28)9-17(12)27-11-15(20-22-7-8-23-20)19(26-27)14-5-3-4-6-16(14)21;1-3-19(26)24-18-8-17(12(2)9-23-18)25-10-14(15(11-25)20(22)27)13-6-4-5-7-16(13)21;1-12(27)23-18-10-13(6-8-21-18)26-11-15(17-7-9-22-24-17)19(25-26)14-4-2-3-5-16(14)20/h1-2,5-6,8-14,29H,3-4,7H2,(H,30,31);4-13H,1-3H3,(H,24,27,30)(H,25,26,28);3-11H,1-2H3,(H,22,23)(H,24,25,28);4-11H,3H2,1-2H3,(H2,22,27)(H,23,24,26);2-11H,1H3,(H,22,24)(H,21,23,27).
What are the key properties of 3-(2-chlorophenyl)-1-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(propanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]-2-methylpropanamide?
3-(2-chlorophenyl)-1-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(propanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]-2-methylpropanamide has a molecular weight of 2010.31 g/mol, XLogP of 21.57, 25 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[2-[3-(4-hydroxyphenyl)propyl]pyrimidin-4-yl]pyrazole-4-carboxylic acid;N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;4-(2-chlorophenyl)-1-[5-methyl-2-(propanoylamino)-4-pyridinyl]pyrrole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-5-methyl-2-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 159532653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).