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

C108H106Cl4N30O8 — CID 161166465

About 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

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 (PubChem CID 161166465) has the molecular formula C108H106Cl4N30O8 and a molecular weight of 2094.05 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161166465
• Molecular Formula: C108H106Cl4N30O8
• Molecular Weight: 2094.05 g/mol
• Exact Mass: 2090.76
• IUPAC Name: 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
• SMILES: CC(=O)Cc1cc(-n2cc(-c3ccccc3Cl)c(-c3ncn[nH]3)n2)ccn1.CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3C)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3cc(CN(C)C)ccc3Cl)c2)c(C)cn1.CCOc1ccc(-c2nn(-c3cc(NC(C)=O)ncc3C)cc2-c2ncn[nH]2)c(Cl)c1.Cc1cnc(NC(=O)C2CC2)cc1-n1cc(C(N)=O)c(-c2cc(CN3CCCC3)ccc2Cl)c1
• InChI: InChI=1S/C26H28ClN5O2.C22H24ClN5O2.C21H20ClN7O2.C20H19N7O.C19H15ClN6O/c1-16-12-29-24(30-26(34)18-5-6-18)11-23(16)32-14-20(21(15-32)25(28)33)19-10-17(4-7-22(19)27)13-31-8-2-3-9-31;1-13-9-25-21(26-14(2)29)8-20(13)28-11-17(18(12-28)22(24)30)16-7-15(10-27(3)4)5-6-19(16)23;1-4-31-14-5-6-15(17(22)7-14)20-16(21-24-11-25-27-21)10-29(28-20)18-8-19(26-13(3)30)23-9-12(18)2;1-12-6-4-5-7-15(12)19-16(20-22-11-23-25-20)10-27(26-19)17-8-18(24-14(3)28)21-9-13(17)2;1-12(27)8-13-9-14(6-7-21-13)26-10-16(15-4-2-3-5-17(15)20)18(25-26)19-22-11-23-24-19/h4,7,10-12,14-15,18H,2-3,5-6,8-9,13H2,1H3,(H2,28,33)(H,29,30,34);5-9,11-12H,10H2,1-4H3,(H2,24,30)(H,25,26,29);5-11H,4H2,1-3H3,(H,23,26,30)(H,24,25,27);4-11H,1-3H3,(H,21,24,28)(H,22,23,25);2-7,9-11H,8H2,1H3,(H,22,23,24)
• InChIKey: UQPJKZHGCDYKKQ-UHFFFAOYSA-N
• XLogP: 19.00
• TPSA: 487.84 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2094.05
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(=O)Cc1cc(-n2cc(-c3ccccc3Cl)c(-c3ncn[nH]3)n2)ccn1.CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3C)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3cc(CN(C)C)ccc3Cl)c2)c(C)cn1.CCOc1ccc(-c2nn(-c3cc(NC(C)=O)ncc3C)cc2-c2ncn[nH]2)c(Cl)c1.Cc1cnc(NC(=O)C2CC2)cc1-n1cc(C(N)=O)c(-c2cc(CN3CCCC3)ccc2Cl)c1.

What is the InChIKey of 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?

The InChIKey is UQPJKZHGCDYKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O2.C22H24ClN5O2.C21H20ClN7O2.C20H19N7O.C19H15ClN6O/c1-16-12-29-24(30-26(34)18-5-6-18)11-23(16)32-14-20(21(15-32)25(28)33)19-10-17(4-7-22(19)27)13-31-8-2-3-9-31;1-13-9-25-21(26-14(2)29)8-20(13)28-11-17(18(12-28)22(24)30)16-7-15(10-27(3)4)5-6-19(16)23;1-4-31-14-5-6-15(17(22)7-14)20-16(21-24-11-25-27-21)10-29(28-20)18-8-19(26-13(3)30)23-9-12(18)2;1-12-6-4-5-7-15(12)19-16(20-22-11-23-25-20)10-27(26-19)17-8-18(24-14(3)28)21-9-13(17)2;1-12(27)8-13-9-14(6-7-21-13)26-10-16(15-4-2-3-5-17(15)20)18(25-26)19-22-11-23-24-19/h4,7,10-12,14-15,18H,2-3,5-6,8-9,13H2,1H3,(H2,28,33)(H,29,30,34);5-9,11-12H,10H2,1-4H3,(H2,24,30)(H,25,26,29);5-11H,4H2,1-3H3,(H,23,26,30)(H,24,25,27);4-11H,1-3H3,(H,21,24,28)(H,22,23,25);2-7,9-11H,8H2,1H3,(H,22,23,24).

What are the key properties of 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?

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 has a molecular weight of 2094.05 g/mol, XLogP of 19.00, 28 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161166465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).