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

C98H85Cl5N28O6 — CID 159496101

About 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

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 (PubChem CID 159496101) has the molecular formula C98H85Cl5N28O6 and a molecular weight of 1928.21 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159496101
• Molecular Formula: C98H85Cl5N28O6
• Molecular Weight: 1928.21 g/mol
• Exact Mass: 1924.56
• IUPAC Name: 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
• SMILES: CC(=O)Cc1cc(-n2cc(-c3cccc(N)n3)c(-c3ccccc3Cl)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccnc(Cl)c3)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(CO)c(-c3ccccc3Cl)c2)c(C)cn1.COC(=O)Nc1cc(-n2cc(-c3ncc[nH]3)c(-c3ccccc3Cl)c2)c(C)cn1.Cc1cnc(N)cc1-n1cc(-c2ncn[nH]2)c(-c2ccccc2Cl)n1
• InChI: InChI=1S/C23H20ClN5O.C21H18ClN5O2.C19H18ClN3O2.C18H15ClN8O.C17H14ClN7/c1-14-12-26-16(10-15(2)30)11-21(14)29-13-18(20-8-5-9-22(25)27-20)23(28-29)17-6-3-4-7-19(17)24;1-13-10-25-19(26-21(28)29-2)9-18(13)27-11-15(14-5-3-4-6-17(14)22)16(12-27)20-23-7-8-24-20;1-12-8-21-19(22-13(2)25)7-18(12)23-9-14(11-24)16(10-23)15-5-3-4-6-17(15)20;1-10-7-21-16(24-11(2)28)6-14(10)27-8-13(18-22-9-23-25-18)17(26-27)12-3-4-20-15(19)5-12;1-10-7-20-15(19)6-14(10)25-8-12(17-21-9-22-23-17)16(24-25)11-4-2-3-5-13(11)18/h3-9,11-13H,10H2,1-2H3,(H2,25,27);3-12H,1-2H3,(H,23,24)(H,25,26,28);3-10,24H,11H2,1-2H3,(H,21,22,25);3-9H,1-2H3,(H,21,24,28)(H,22,23,25);2-9H,1H3,(H2,19,20)(H,21,22,23)
• InChIKey: LYULYGWZGZUDGP-UHFFFAOYSA-N
• XLogP: 19.99
• TPSA: 451.24 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1928.21
LogP ≤ 5	19.99
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(=O)Cc1cc(-n2cc(-c3cccc(N)n3)c(-c3ccccc3Cl)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccnc(Cl)c3)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(CO)c(-c3ccccc3Cl)c2)c(C)cn1.COC(=O)Nc1cc(-n2cc(-c3ncc[nH]3)c(-c3ccccc3Cl)c2)c(C)cn1.Cc1cnc(N)cc1-n1cc(-c2ncn[nH]2)c(-c2ccccc2Cl)n1.

What is the InChIKey of 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?

The InChIKey is LYULYGWZGZUDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O.C21H18ClN5O2.C19H18ClN3O2.C18H15ClN8O.C17H14ClN7/c1-14-12-26-16(10-15(2)30)11-21(14)29-13-18(20-8-5-9-22(25)27-20)23(28-29)17-6-3-4-7-19(17)24;1-13-10-25-19(26-21(28)29-2)9-18(13)27-11-15(14-5-3-4-6-17(14)22)16(12-27)20-23-7-8-24-20;1-12-8-21-19(22-13(2)25)7-18(12)23-9-14(11-24)16(10-23)15-5-3-4-6-17(15)20;1-10-7-21-16(24-11(2)28)6-14(10)27-8-13(18-22-9-23-25-18)17(26-27)12-3-4-20-15(19)5-12;1-10-7-20-15(19)6-14(10)25-8-12(17-21-9-22-23-17)16(24-25)11-4-2-3-5-13(11)18/h3-9,11-13H,10H2,1-2H3,(H2,25,27);3-12H,1-2H3,(H,23,24)(H,25,26,28);3-10,24H,11H2,1-2H3,(H,21,22,25);3-9H,1-2H3,(H,21,24,28)(H,22,23,25);2-9H,1H3,(H2,19,20)(H,21,22,23).

What are the key properties of 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?

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 has a molecular weight of 1928.21 g/mol, XLogP of 19.99, 20 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159496101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).