4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C62H68Cl2F3N15O6 — CID 161391041

About 4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 161391041) has the molecular formula C62H68Cl2F3N15O6 and a molecular weight of 1247.22 g/mol. Its IUPAC name is 4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
• PubChem CID: 161391041
• Molecular Formula: C62H68Cl2F3N15O6
• Molecular Weight: 1247.22 g/mol
• Exact Mass: 1245.48
• IUPAC Name: 4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
• SMILES: CCCNC(=O)c1[nH]c(C)c(-c2ccnc(Nc3ccccc3)n2)c1C.CCONc1nccc(-c2c(C)[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2C)n1.Cc1[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(C)c1-c1ccnc(NCC(F)(F)F)n1
• InChI: InChI=1S/C21H21ClF3N5O2.C21H24ClN5O3.C20H23N5O/c1-11-17(15-6-7-26-20(30-15)27-10-21(23,24)25)12(2)28-18(11)19(32)29-16(9-31)13-4-3-5-14(22)8-13;1-4-30-27-21-23-9-8-16(26-21)18-12(2)19(24-13(18)3)20(29)25-17(11-28)14-6-5-7-15(22)10-14;1-4-11-21-19(26)18-13(2)17(14(3)23-18)16-10-12-22-20(25-16)24-15-8-6-5-7-9-15/h3-8,16,28,31H,9-10H2,1-2H3,(H,29,32)(H,26,27,30);5-10,17,24,28H,4,11H2,1-3H3,(H,25,29)(H,23,26,27);5-10,12,23H,4,11H2,1-3H3,(H,21,26)(H,22,24,25)/t16-;17-;/m11./s1
• InChIKey: VSZKHBMWRYATJD-LUSFEZHPSA-N
• XLogP: 11.72
• TPSA: 297.79 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1247.22
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?

The IUPAC name of 4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 161391041) is 4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

What is the SMILES notation for 4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?

The canonical SMILES for 4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CCCNC(=O)c1[nH]c(C)c(-c2ccnc(Nc3ccccc3)n2)c1C.CCONc1nccc(-c2c(C)[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2C)n1.Cc1[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(C)c1-c1ccnc(NCC(F)(F)F)n1.

What is the InChIKey of 4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?

The InChIKey is VSZKHBMWRYATJD-LUSFEZHPSA-N. The full InChI is InChI=1S/C21H21ClF3N5O2.C21H24ClN5O3.C20H23N5O/c1-11-17(15-6-7-26-20(30-15)27-10-21(23,24)25)12(2)28-18(11)19(32)29-16(9-31)13-4-3-5-14(22)8-13;1-4-30-27-21-23-9-8-16(26-21)18-12(2)19(24-13(18)3)20(29)25-17(11-28)14-6-5-7-15(22)10-14;1-4-11-21-19(26)18-13(2)17(14(3)23-18)16-10-12-22-20(25-16)24-15-8-6-5-7-9-15/h3-8,16,28,31H,9-10H2,1-2H3,(H,29,32)(H,26,27,30);5-10,17,24,28H,4,11H2,1-3H3,(H,25,29)(H,23,26,27);5-10,12,23H,4,11H2,1-3H3,(H,21,26)(H,22,24,25)/t16-;17-;/m11./s1.

What are the key properties of 4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?

4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 1247.22 g/mol, XLogP of 11.72, 21 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-propyl-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3,5-dimethyl-4-[2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethoxyamino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 161391041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).