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

C103H92Cl5FN28O8 — CID 158852500

About 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

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 (PubChem CID 158852500) has the molecular formula C103H92Cl5FN28O8 and a molecular weight of 2046.32 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158852500
• Molecular Formula: C103H92Cl5FN28O8
• Molecular Weight: 2046.32 g/mol
• Exact Mass: 2042.61
• IUPAC Name: 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
• SMILES: CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3cc(CN(C)C)ccc3Cl)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)n2)c(F)cn1.CC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)c(C)cn1.Cc1cnc(NC(=O)C2CC2)cc1-n1cc(C(N)=O)c(-c2ccccc2Cl)c1.NC(=O)c1cn(-c2ccnc(CCCc3ccc(O)cc3)n2)nc1-c1ccccc1Cl
• InChI: InChI=1S/C23H20ClN5O2.C22H23ClN8O.C21H19ClN4O2.C19H17ClN4O2.C18H13ClFN7O/c24-19-6-2-1-5-17(19)22-18(23(25)31)14-29(28-22)21-12-13-26-20(27-21)7-3-4-15-8-10-16(30)11-9-15;1-13-9-24-20(27-14(2)32)8-19(13)31-11-17(22-25-12-26-28-22)21(29-31)16-7-15(10-30(3)4)5-6-18(16)23;1-12-9-24-19(25-21(28)13-6-7-13)8-18(12)26-10-15(16(11-26)20(23)27)14-4-2-3-5-17(14)22;1-11-8-22-18(23-12(2)25)7-17(11)24-9-14(15(10-24)19(21)26)13-5-3-4-6-16(13)20;1-10(28)24-16-6-15(14(20)7-21-16)27-8-12(18-22-9-23-25-18)17(26-27)11-4-2-3-5-13(11)19/h1-2,5-6,8-14,30H,3-4,7H2,(H2,25,31);5-9,11-12H,10H2,1-4H3,(H,24,27,32)(H,25,26,28);2-5,8-11,13H,6-7H2,1H3,(H2,23,27)(H,24,25,28);3-10H,1-2H3,(H2,21,26)(H,22,23,25);2-9H,1H3,(H,21,24,28)(H,22,23,25)
• InChIKey: IZQHDXCDQGAFJE-UHFFFAOYSA-N
• XLogP: 18.64
• TPSA: 492.94 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2046.32
LogP ≤ 5	18.64
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3cc(CN(C)C)ccc3Cl)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)n2)c(F)cn1.CC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccccc3Cl)c2)c(C)cn1.Cc1cnc(NC(=O)C2CC2)cc1-n1cc(C(N)=O)c(-c2ccccc2Cl)c1.NC(=O)c1cn(-c2ccnc(CCCc3ccc(O)cc3)n2)nc1-c1ccccc1Cl.

What is the InChIKey of 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?

The InChIKey is IZQHDXCDQGAFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2.C22H23ClN8O.C21H19ClN4O2.C19H17ClN4O2.C18H13ClFN7O/c24-19-6-2-1-5-17(19)22-18(23(25)31)14-29(28-22)21-12-13-26-20(27-21)7-3-4-15-8-10-16(30)11-9-15;1-13-9-24-20(27-14(2)32)8-19(13)31-11-17(22-25-12-26-28-22)21(29-31)16-7-15(10-30(3)4)5-6-18(16)23;1-12-9-24-19(25-21(28)13-6-7-13)8-18(12)26-10-15(16(11-26)20(23)27)14-4-2-3-5-17(14)22;1-11-8-22-18(23-12(2)25)7-17(11)24-9-14(15(10-24)19(21)26)13-5-3-4-6-16(13)20;1-10(28)24-16-6-15(14(20)7-21-16)27-8-12(18-22-9-23-25-18)17(26-27)11-4-2-3-5-13(11)19/h1-2,5-6,8-14,30H,3-4,7H2,(H2,25,31);5-9,11-12H,10H2,1-4H3,(H,24,27,32)(H,25,26,28);2-5,8-11,13H,6-7H2,1H3,(H2,23,27)(H,24,25,28);3-10H,1-2H3,(H2,21,26)(H,22,23,25);2-9H,1H3,(H,21,24,28)(H,22,23,25).

What are the key properties of 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?

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 has a molecular weight of 2046.32 g/mol, XLogP of 18.64, 26 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158852500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).