1-(2-acetamido-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;1-[4-[3-(2-methylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one

C98H84Cl6N26O11S — CID 161029479

IUPAC1-(2-acetamido-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;1-[4-[3-(2-methylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccc(Cl)cc3Cl)n2)c(C)cn1.CC(=O)Cc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3S(C)(=O)=O)c2)ccn1.CC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)c(Cl)cn1.COC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)c(C)cn1.COc1ccc(-c2nn(-c3cc(NC(C)=O)ncc3C)cc2-c2ncn[nH]2)c(Cl)c1
InChIInChI=1S/C21H19N5O3S.C20H16Cl2N6O.C20H18ClN7O2.C19H17ClN4O3.C18H14Cl2N4O2/c1-14(27)9-15-10-16(7-8-22-15)26-11-18(19(12-26)21-23-13-24-25-21)17-5-3-4-6-20(17)30(2,28)29;1-11-8-23-14(5-12(2)29)7-18(11)28-9-16(20-24-10-25-26-20)19(27-28)15-4-3-13(21)6-17(15)22;1-11-8-22-18(25-12(2)29)7-17(11)28-9-15(20-23-10-24-26-20)19(27-28)14-5-4-13(30-3)6-16(14)21;1-11-8-22-17(23-19(26)27-2)7-16(11)24-9-13(14(10-24)18(21)25)12-5-3-4-6-15(12)20;1-10(25)23-17-6-16(15(20)7-22-17)24-8-12(13(9-24)18(21)26)11-4-2-3-5-14(11)19/h3-8,10-13H,9H2,1-2H3,(H,23,24,25);3-4,6-10H,5H2,1-2H3,(H,24,25,26);4-10H,1-3H3,(H,22,25,29)(H,23,24,26);3-10H,1-2H3,(H2,21,25)(H,22,23,26);2-9H,1H3,(H2,21,26)(H,22,23,25)
InChIKeyTZKJEQGKPNLEAU-UHFFFAOYSA-N
MW2046.71 g/mol
LogP18.66
Rot. Bonds24

About 1-(2-acetamido-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;1-[4-[3-(2-methylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one

1-(2-acetamido-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;1-[4-[3-(2-methylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one (PubChem CID 161029479) has the molecular formula C98H84Cl6N26O11S and a molecular weight of 2046.71 g/mol. Its IUPAC name is 1-(2-acetamido-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;1-[4-[3-(2-methylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-(2-acetamido-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;1-[4-[3-(2-methylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one
PubChem CID161029479
Molecular FormulaC98H84Cl6N26O11S
Molecular Weight2046.71 g/mol
Exact Mass2042.47
IUPAC Name1-(2-acetamido-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;1-[4-[3-(2-methylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccc(Cl)cc3Cl)n2)c(C)cn1.CC(=O)Cc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3S(C)(=O)=O)c2)ccn1.CC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)c(Cl)cn1.COC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)c(C)cn1.COc1ccc(-c2nn(-c3cc(NC(C)=O)ncc3C)cc2-c2ncn[nH]2)c(Cl)c1
InChIInChI=1S/C21H19N5O3S.C20H16Cl2N6O.C20H18ClN7O2.C19H17ClN4O3.C18H14Cl2N4O2/c1-14(27)9-15-10-16(7-8-22-15)26-11-18(19(12-26)21-23-13-24-25-21)17-5-3-4-6-20(17)30(2,28)29;1-11-8-23-14(5-12(2)29)7-18(11)28-9-16(20-24-10-25-26-20)19(27-28)15-4-3-13(21)6-17(15)22;1-11-8-22-18(25-12(2)29)7-17(11)28-9-15(20-23-10-24-26-20)19(27-28)14-5-4-13(30-3)6-16(14)21;1-11-8-22-17(23-19(26)27-2)7-16(11)24-9-13(14(10-24)18(21)25)12-5-3-4-6-15(12)20;1-10(25)23-17-6-16(15(20)7-22-17)24-8-12(13(9-24)18(21)26)11-4-2-3-5-14(11)19/h3-8,10-13H,9H2,1-2H3,(H,23,24,25);3-4,6-10H,5H2,1-2H3,(H,24,25,26);4-10H,1-3H3,(H,22,25,29)(H,23,24,26);3-10H,1-2H3,(H2,21,25)(H,22,23,26);2-9H,1H3,(H2,21,26)(H,22,23,25)
InChIKeyTZKJEQGKPNLEAU-UHFFFAOYSA-N
XLogP18.66
TPSA499.81 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002046.71
LogP ≤ 518.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 1-(2-acetamido-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;1-[4-[3-(2-methylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-methylsulfonylphenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-(2-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate;N-[5-methyl-4-[3-(2-methylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide
CID 161994327

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamido-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;1-[4-[3-(2-methylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one?
The IUPAC name of 1-(2-acetamido-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;1-[4-[3-(2-methylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one (CID 161029479) is 1-(2-acetamido-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;1-[4-[3-(2-methylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-(2-acetamido-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;1-[4-[3-(2-methylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-(2-acetamido-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;1-[4-[3-(2-methylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccc(Cl)cc3Cl)n2)c(C)cn1.CC(=O)Cc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3S(C)(=O)=O)c2)ccn1.CC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)c(Cl)cn1.COC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)c(C)cn1.COc1ccc(-c2nn(-c3cc(NC(C)=O)ncc3C)cc2-c2ncn[nH]2)c(Cl)c1.
What is the InChIKey of 1-(2-acetamido-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;1-[4-[3-(2-methylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one?
The InChIKey is TZKJEQGKPNLEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S.C20H16Cl2N6O.C20H18ClN7O2.C19H17ClN4O3.C18H14Cl2N4O2/c1-14(27)9-15-10-16(7-8-22-15)26-11-18(19(12-26)21-23-13-24-25-21)17-5-3-4-6-20(17)30(2,28)29;1-11-8-23-14(5-12(2)29)7-18(11)28-9-16(20-24-10-25-26-20)19(27-28)15-4-3-13(21)6-17(15)22;1-11-8-22-18(25-12(2)29)7-17(11)28-9-15(20-23-10-24-26-20)19(27-28)14-5-4-13(30-3)6-16(14)21;1-11-8-22-17(23-19(26)27-2)7-16(11)24-9-13(14(10-24)18(21)25)12-5-3-4-6-15(12)20;1-10(25)23-17-6-16(15(20)7-22-17)24-8-12(13(9-24)18(21)26)11-4-2-3-5-14(11)19/h3-8,10-13H,9H2,1-2H3,(H,23,24,25);3-4,6-10H,5H2,1-2H3,(H,24,25,26);4-10H,1-3H3,(H,22,25,29)(H,23,24,26);3-10H,1-2H3,(H2,21,25)(H,22,23,26);2-9H,1H3,(H2,21,26)(H,22,23,25).
What are the key properties of 1-(2-acetamido-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;1-[4-[3-(2-methylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one?
1-(2-acetamido-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;1-[4-[3-(2-methylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one has a molecular weight of 2046.71 g/mol, XLogP of 18.66, 24 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamido-5-chloro-4-pyridinyl)-4-(2-chlorophenyl)pyrrole-3-carboxamide;N-[4-[3-(2-chloro-4-methoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;1-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]propan-2-one;methyl N-[4-[3-carbamoyl-4-(2-chlorophenyl)pyrrol-1-yl]-5-methyl-2-pyridinyl]carbamate;1-[4-[3-(2-methylsulfonylphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one is sourced from PubChem (CID 161029479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).