N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(4-prop-2-ynoxycyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide

C85H91F3N16O12 — CID 158083386

About N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(4-prop-2-ynoxycyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(4-prop-2-ynoxycyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide (PubChem CID 158083386) has the molecular formula C85H91F3N16O12 and a molecular weight of 1585.76 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(4-prop-2-ynoxycyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(4-prop-2-ynoxycyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide
• PubChem CID: 158083386
• Molecular Formula: C85H91F3N16O12
• Molecular Weight: 1585.76 g/mol
• Exact Mass: 1584.70
• IUPAC Name: N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(4-prop-2-ynoxycyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide
• SMILES: C#CCOC1CCC(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CC1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nc(-c5ccncc5)no4)CCCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nc(-c5cnccn5)no4)CCCCC3)n(C)c2C)ccc1F
• InChI: InChI=1S/C30H31FN6O4.C29H30FN7O4.C26H30FN3O4/c1-17-16-21(8-9-22(17)31)33-27(39)23-18(2)24(37(4)19(23)3)25(38)28(40)35-30(12-6-5-7-13-30)29-34-26(36-41-29)20-10-14-32-15-11-20;1-16-14-19(8-9-20(16)30)33-26(39)22-17(2)23(37(4)18(22)3)24(38)27(40)35-29(10-6-5-7-11-29)28-34-25(36-41-28)21-15-31-12-13-32-21;1-6-13-34-20-10-7-18(8-11-20)28-26(33)24(31)23-16(3)22(17(4)30(23)5)25(32)29-19-9-12-21(27)15(2)14-19/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,33,39)(H,35,40);8-9,12-15H,5-7,10-11H2,1-4H3,(H,33,39)(H,35,40);1,9,12,14,18,20H,7-8,10-11,13H2,2-5H3,(H,28,33)(H,29,32)
• InChIKey: FNFJRDKTFBSWNO-UHFFFAOYSA-N
• XLogP: 12.89
• TPSA: 366.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1585.76
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(4-prop-2-ynoxycyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide?

The IUPAC name of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(4-prop-2-ynoxycyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide (CID 158083386) is N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(4-prop-2-ynoxycyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide.

What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(4-prop-2-ynoxycyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide?

The canonical SMILES for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(4-prop-2-ynoxycyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide is C#CCOC1CCC(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)CC1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nc(-c5ccncc5)no4)CCCCC3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nc(-c5cnccn5)no4)CCCCC3)n(C)c2C)ccc1F.

What is the InChIKey of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(4-prop-2-ynoxycyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide?

The InChIKey is FNFJRDKTFBSWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN6O4.C29H30FN7O4.C26H30FN3O4/c1-17-16-21(8-9-22(17)31)33-27(39)23-18(2)24(37(4)19(23)3)25(38)28(40)35-30(12-6-5-7-13-30)29-34-26(36-41-29)20-10-14-32-15-11-20;1-16-14-19(8-9-20(16)30)33-26(39)22-17(2)23(37(4)18(22)3)24(38)27(40)35-29(10-6-5-7-11-29)28-34-25(36-41-28)21-15-31-12-13-32-21;1-6-13-34-20-10-7-18(8-11-20)28-26(33)24(31)23-16(3)22(17(4)30(23)5)25(32)29-19-9-12-21(27)15(2)14-19/h8-11,14-16H,5-7,12-13H2,1-4H3,(H,33,39)(H,35,40);8-9,12-15H,5-7,10-11H2,1-4H3,(H,33,39)(H,35,40);1,9,12,14,18,20H,7-8,10-11,13H2,2-5H3,(H,28,33)(H,29,32).

What are the key properties of N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(4-prop-2-ynoxycyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide?

N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(4-prop-2-ynoxycyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide has a molecular weight of 1585.76 g/mol, XLogP of 12.89, 21 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(4-prop-2-ynoxycyclohexyl)amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]acetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 158083386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).