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

C92H74Br2Cl5N25O9 — CID 162071495

IUPAC1-(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
SMILESCC(=O)Cc1cc(-n2cc(-c3ccccc3Cl)c(C(N)=O)n2)ccn1.CC(=O)Cc1cc(-n2cc(C(=O)O)c(-c3ccccc3Cl)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)ccn1.CC(=O)Nc1cc(-n2nc(-c3ccccc3Cl)c(-c3ncn[nH]3)c2Br)c(Br)cn1
InChIInChI=1S/C19H16ClN7O.C19H16ClN3O3.C18H12Br2ClN7O.2C18H15ClN4O2/c1-11-8-21-17(24-12(2)28)7-16(11)27-9-14(19-22-10-23-25-19)18(26-27)13-5-3-4-6-15(13)20;1-11-9-21-13(7-12(2)24)8-17(11)23-10-15(19(25)26)18(22-23)14-5-3-4-6-16(14)20;1-9(29)25-14-6-13(11(19)7-22-14)28-17(20)15(18-23-8-24-26-18)16(27-28)10-4-2-3-5-12(10)21;1-11(24)22-17-8-12(6-7-21-17)23-9-14(15(10-23)18(20)25)13-4-2-3-5-16(13)19;1-11(24)8-12-9-13(6-7-21-12)23-10-15(17(22-23)18(20)25)14-4-2-3-5-16(14)19/h3-10H,1-2H3,(H,21,24,28)(H,22,23,25);3-6,8-10H,7H2,1-2H3,(H,25,26);2-8H,1H3,(H,22,25,29)(H,23,24,26);2-10H,1H3,(H2,20,25)(H,21,22,24);2-7,9-10H,8H2,1H3,(H2,20,25)
InChIKeyZBDLBNCLYNOWOT-UHFFFAOYSA-N
MW2010.84 g/mol
LogP18.29
Rot. Bonds22

About 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

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 (PubChem CID 162071495) has the molecular formula C92H74Br2Cl5N25O9 and a molecular weight of 2010.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID162071495
Molecular FormulaC92H74Br2Cl5N25O9
Molecular Weight2010.84 g/mol
Exact Mass2005.29
IUPAC Name1-(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
SMILESCC(=O)Cc1cc(-n2cc(-c3ccccc3Cl)c(C(N)=O)n2)ccn1.CC(=O)Cc1cc(-n2cc(C(=O)O)c(-c3ccccc3Cl)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)ccn1.CC(=O)Nc1cc(-n2nc(-c3ccccc3Cl)c(-c3ncn[nH]3)c2Br)c(Br)cn1
InChIInChI=1S/C19H16ClN7O.C19H16ClN3O3.C18H12Br2ClN7O.2C18H15ClN4O2/c1-11-8-21-17(24-12(2)28)7-16(11)27-9-14(19-22-10-23-25-19)18(26-27)13-5-3-4-6-15(13)20;1-11-9-21-13(7-12(2)24)8-17(11)23-10-15(19(25)26)18(22-23)14-5-3-4-6-16(14)20;1-9(29)25-14-6-13(11(19)7-22-14)28-17(20)15(18-23-8-24-26-18)16(27-28)10-4-2-3-5-12(10)21;1-11(24)22-17-8-12(6-7-21-17)23-9-14(15(10-23)18(20)25)13-4-2-3-5-16(13)19;1-11(24)8-12-9-13(6-7-21-12)23-10-15(17(22-23)18(20)25)14-4-2-3-5-16(14)19/h3-10H,1-2H3,(H,21,24,28)(H,22,23,25);3-6,8-10H,7H2,1-2H3,(H,25,26);2-8H,1H3,(H,22,25,29)(H,23,24,26);2-10H,1H3,(H2,20,25)(H,21,22,24);2-7,9-10H,8H2,1H3,(H2,20,25)
InChIKeyZBDLBNCLYNOWOT-UHFFFAOYSA-N
XLogP18.29
TPSA468.72 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002010.84
LogP ≤ 518.29
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 162071495) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Cc1cc(-n2cc(-c3ccccc3Cl)c(C(N)=O)n2)ccn1.CC(=O)Cc1cc(-n2cc(C(=O)O)c(-c3ccccc3Cl)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)ccn1.CC(=O)Nc1cc(-n2nc(-c3ccccc3Cl)c(-c3ncn[nH]3)c2Br)c(Br)cn1.
What is the InChIKey of 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?
The InChIKey is ZBDLBNCLYNOWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN7O.C19H16ClN3O3.C18H12Br2ClN7O.2C18H15ClN4O2/c1-11-8-21-17(24-12(2)28)7-16(11)27-9-14(19-22-10-23-25-19)18(26-27)13-5-3-4-6-15(13)20;1-11-9-21-13(7-12(2)24)8-17(11)23-10-15(19(25)26)18(22-23)14-5-3-4-6-16(14)20;1-9(29)25-14-6-13(11(19)7-22-14)28-17(20)15(18-23-8-24-26-18)16(27-28)10-4-2-3-5-12(10)21;1-11(24)22-17-8-12(6-7-21-17)23-9-14(15(10-23)18(20)25)13-4-2-3-5-16(13)19;1-11(24)8-12-9-13(6-7-21-12)23-10-15(17(22-23)18(20)25)14-4-2-3-5-16(14)19/h3-10H,1-2H3,(H,21,24,28)(H,22,23,25);3-6,8-10H,7H2,1-2H3,(H,25,26);2-8H,1H3,(H,22,25,29)(H,23,24,26);2-10H,1H3,(H2,20,25)(H,21,22,24);2-7,9-10H,8H2,1H3,(H2,20,25).
What are the key properties of 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?
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 has a molecular weight of 2010.84 g/mol, XLogP of 18.29, 22 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162071495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).