6-amino-N-(3-chloro-4-fluorophenyl)-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;(1-methylpyrazol-3-yl)methyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate

C47H50Cl2F2N12O6 — CID 157353169

About 6-amino-N-(3-chloro-4-fluorophenyl)-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;(1-methylpyrazol-3-yl)methyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate

6-amino-N-(3-chloro-4-fluorophenyl)-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;(1-methylpyrazol-3-yl)methyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate (PubChem CID 157353169) has the molecular formula C47H50Cl2F2N12O6 and a molecular weight of 987.90 g/mol. Its IUPAC name is 6-amino-N-(3-chloro-4-fluorophenyl)-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;(1-methylpyrazol-3-yl)methyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate.

Molecular Properties

• Compound Name: 6-amino-N-(3-chloro-4-fluorophenyl)-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;(1-methylpyrazol-3-yl)methyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate
• PubChem CID: 157353169
• Molecular Formula: C47H50Cl2F2N12O6
• Molecular Weight: 987.90 g/mol
• Exact Mass: 986.33
• IUPAC Name: 6-amino-N-(3-chloro-4-fluorophenyl)-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;(1-methylpyrazol-3-yl)methyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate
• SMILES: CCn1cc2c(c1C(=O)Nc1ccc(F)c(Cl)c1)CCC2N.CCn1cc2c(c1C(=O)Nc1ccc(F)c(Cl)c1)CCC2NC(=O)OCc1ccn(C)n1.Cn1ccc(COC(=O)n2ccnc2)n1
• InChI: InChI=1S/C22H23ClFN5O3.C16H17ClFN3O.C9H10N4O2/c1-3-29-11-16-15(20(29)21(30)25-13-4-6-18(24)17(23)10-13)5-7-19(16)26-22(31)32-12-14-8-9-28(2)27-14;1-2-21-8-11-10(4-6-14(11)19)15(21)16(22)20-9-3-5-13(18)12(17)7-9;1-12-4-2-8(11-12)6-15-9(14)13-5-3-10-7-13/h4,6,8-11,19H,3,5,7,12H2,1-2H3,(H,25,30)(H,26,31);3,5,7-8,14H,2,4,6,19H2,1H3,(H,20,22);2-5,7H,6H2,1H3
• InChIKey: BHTRKUSGZRUTFS-UHFFFAOYSA-N
• XLogP: 8.50
• TPSA: 212.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	987.90
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-chloro-4-fluorophenyl)-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;(1-methylpyrazol-3-yl)methyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate?

The IUPAC name of 6-amino-N-(3-chloro-4-fluorophenyl)-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;(1-methylpyrazol-3-yl)methyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate (CID 157353169) is 6-amino-N-(3-chloro-4-fluorophenyl)-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;(1-methylpyrazol-3-yl)methyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate.

What is the SMILES notation for 6-amino-N-(3-chloro-4-fluorophenyl)-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;(1-methylpyrazol-3-yl)methyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate?

The canonical SMILES for 6-amino-N-(3-chloro-4-fluorophenyl)-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;(1-methylpyrazol-3-yl)methyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate is CCn1cc2c(c1C(=O)Nc1ccc(F)c(Cl)c1)CCC2N.CCn1cc2c(c1C(=O)Nc1ccc(F)c(Cl)c1)CCC2NC(=O)OCc1ccn(C)n1.Cn1ccc(COC(=O)n2ccnc2)n1.

What is the InChIKey of 6-amino-N-(3-chloro-4-fluorophenyl)-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;(1-methylpyrazol-3-yl)methyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate?

The InChIKey is BHTRKUSGZRUTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN5O3.C16H17ClFN3O.C9H10N4O2/c1-3-29-11-16-15(20(29)21(30)25-13-4-6-18(24)17(23)10-13)5-7-19(16)26-22(31)32-12-14-8-9-28(2)27-14;1-2-21-8-11-10(4-6-14(11)19)15(21)16(22)20-9-3-5-13(18)12(17)7-9;1-12-4-2-8(11-12)6-15-9(14)13-5-3-10-7-13/h4,6,8-11,19H,3,5,7,12H2,1-2H3,(H,25,30)(H,26,31);3,5,7-8,14H,2,4,6,19H2,1H3,(H,20,22);2-5,7H,6H2,1H3.

What are the key properties of 6-amino-N-(3-chloro-4-fluorophenyl)-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;(1-methylpyrazol-3-yl)methyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate?

6-amino-N-(3-chloro-4-fluorophenyl)-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;(1-methylpyrazol-3-yl)methyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate has a molecular weight of 987.90 g/mol, XLogP of 8.50, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-(3-chloro-4-fluorophenyl)-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxamide;(1-methylpyrazol-3-yl)methyl N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]carbamate;(1-methylpyrazol-3-yl)methyl imidazole-1-carboxylate is sourced from PubChem (CID 157353169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).