N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[2-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid

C137H119ClF6N12O18 — CID 161398444

About N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[2-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid

N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[2-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid (PubChem CID 161398444) has the molecular formula C137H119ClF6N12O18 and a molecular weight of 2370.97 g/mol. Its IUPAC name is N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[2-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid.

Molecular Properties

• Compound Name: N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[2-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid
• PubChem CID: 161398444
• Molecular Formula: C137H119ClF6N12O18
• Molecular Weight: 2370.97 g/mol
• Exact Mass: 2368.84
• IUPAC Name: N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[2-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid
• SMILES: CC(F)(F)c1cc(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)cc2)ccc1Cl.CCCCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1.CCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)c(F)c2)c1.Cc1cccc(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)cc2)c1
• InChI: InChI=1S/C30H30FN3O3.C28H26FN3O3.C27H21ClF2N2O4.C26H20F2N2O4.C26H22N2O4/c1-3-4-12-33-30(36)23-17-28(34-19-23)29-18-26(11-13-32-29)37-25-8-6-21(7-9-25)15-24(35)16-22-14-20(2)5-10-27(22)31;1-3-30-28(34)21-15-26(32-17-21)27-16-24(10-11-31-27)35-23-7-5-19(6-8-23)13-22(33)14-20-12-18(2)4-9-25(20)29;1-27(29,30)22-12-17(4-7-23(22)28)11-19(33)10-16-2-5-20(6-3-16)36-21-8-9-31-25(14-21)24-13-18(15-32-24)26(34)35;1-15-2-4-21(27)17(8-15)11-19(31)9-16-3-5-25(22(28)10-16)34-20-6-7-29-24(13-20)23-12-18(14-30-23)26(32)33;1-17-3-2-4-19(11-17)13-21(29)12-18-5-7-22(8-6-18)32-23-9-10-27-25(15-23)24-14-20(16-28-24)26(30)31/h5-11,13-14,17-19,34H,3-4,12,15-16H2,1-2H3,(H,33,36);4-12,15-17,32H,3,13-14H2,1-2H3,(H,30,34);2-9,12-15,32H,10-11H2,1H3,(H,34,35);2-8,10,12-14,30H,9,11H2,1H3,(H,32,33);2-11,14-16,28H,12-13H2,1H3,(H,30,31)
• InChIKey: VTXKQVJNQHKNDV-UHFFFAOYSA-N
• XLogP: 29.05
• TPSA: 445.00 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 45
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2370.97
LogP ≤ 5	29.05
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[2-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid?

The IUPAC name of N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[2-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid (CID 161398444) is N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[2-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid.

What is the SMILES notation for N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[2-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid?

The canonical SMILES for N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[2-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid is CC(F)(F)c1cc(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)cc2)ccc1Cl.CCCCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1.CCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(CC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1.Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)c(F)c2)c1.Cc1cccc(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)O)c[nH]4)c3)cc2)c1.

What is the InChIKey of N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[2-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid?

The InChIKey is VTXKQVJNQHKNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN3O3.C28H26FN3O3.C27H21ClF2N2O4.C26H20F2N2O4.C26H22N2O4/c1-3-4-12-33-30(36)23-17-28(34-19-23)29-18-26(11-13-32-29)37-25-8-6-21(7-9-25)15-24(35)16-22-14-20(2)5-10-27(22)31;1-3-30-28(34)21-15-26(32-17-21)27-16-24(10-11-31-27)35-23-7-5-19(6-8-23)13-22(33)14-20-12-18(2)4-9-25(20)29;1-27(29,30)22-12-17(4-7-23(22)28)11-19(33)10-16-2-5-20(6-3-16)36-21-8-9-31-25(14-21)24-13-18(15-32-24)26(34)35;1-15-2-4-21(27)17(8-15)11-19(31)9-16-3-5-25(22(28)10-16)34-20-6-7-29-24(13-20)23-12-18(14-30-23)26(32)33;1-17-3-2-4-19(11-17)13-21(29)12-18-5-7-22(8-6-18)32-23-9-10-27-25(15-23)24-14-20(16-28-24)26(30)31/h5-11,13-14,17-19,34H,3-4,12,15-16H2,1-2H3,(H,33,36);4-12,15-17,32H,3,13-14H2,1-2H3,(H,30,34);2-9,12-15,32H,10-11H2,1H3,(H,34,35);2-8,10,12-14,30H,9,11H2,1H3,(H,32,33);2-11,14-16,28H,12-13H2,1H3,(H,30,31).

What are the key properties of N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[2-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid?

N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[2-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid has a molecular weight of 2370.97 g/mol, XLogP of 29.05, 45 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;N-ethyl-5-[4-[4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide;5-[4-[2-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid;5-[4-[4-[3-(3-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 161398444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).