2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide

C43H40Cl4F6N16O4 — CID 160507909

About 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide

2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide (PubChem CID 160507909) has the molecular formula C43H40Cl4F6N16O4 and a molecular weight of 1100.70 g/mol. Its IUPAC name is 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide.

Molecular Properties

• Compound Name: 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
• PubChem CID: 160507909
• Molecular Formula: C43H40Cl4F6N16O4
• Molecular Weight: 1100.70 g/mol
• Exact Mass: 1098.21
• IUPAC Name: 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
• SMILES: Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)n1)CN(C(=O)NCC(F)(F)F)C2.Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)n1)CNC2.O=C(NCC(F)(F)F)n1ccnc1
• InChI: InChI=1S/C20H18Cl2F3N7O2.C17H16Cl2N6O.C6H6F3N3O/c21-11-6-13(22)16(15(7-11)34-5-4-32-3-1-2-28-32)17-12-8-31(9-14(12)29-18(26)30-17)19(33)27-10-20(23,24)25;18-10-6-12(19)15(14(7-10)26-5-4-25-3-1-2-22-25)16-11-8-21-9-13(11)23-17(20)24-16;7-6(8,9)3-11-5(13)12-2-1-10-4-12/h1-3,6-7H,4-5,8-10H2,(H,27,33)(H2,26,29,30);1-3,6-7,21H,4-5,8-9H2,(H2,20,23,24);1-2,4H,3H2,(H,11,13)
• InChIKey: QSQSOYYPSRNACW-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 248.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1100.70
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?

The IUPAC name of 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide (CID 160507909) is 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide.

What is the SMILES notation for 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?

The canonical SMILES for 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide is Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)n1)CN(C(=O)NCC(F)(F)F)C2.Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCn3cccn3)n1)CNC2.O=C(NCC(F)(F)F)n1ccnc1.

What is the InChIKey of 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?

The InChIKey is QSQSOYYPSRNACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2F3N7O2.C17H16Cl2N6O.C6H6F3N3O/c21-11-6-13(22)16(15(7-11)34-5-4-32-3-1-2-28-32)17-12-8-31(9-14(12)29-18(26)30-17)19(33)27-10-20(23,24)25;18-10-6-12(19)15(14(7-10)26-5-4-25-3-1-2-22-25)16-11-8-21-9-13(11)23-17(20)24-16;7-6(8,9)3-11-5(13)12-2-1-10-4-12/h1-3,6-7H,4-5,8-10H2,(H,27,33)(H2,26,29,30);1-3,6-7,21H,4-5,8-9H2,(H2,20,23,24);1-2,4H,3H2,(H,11,13).

What are the key properties of 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?

2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide has a molecular weight of 1100.70 g/mol, XLogP of 7.81, 12 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-N-(2,2,2-trifluoroethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide;4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine;N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide is sourced from PubChem (CID 160507909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).