[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate;2-(3-carbamoyl-6-methoxycarbonylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methyl 3-carbamoyl-1-(2-oxopropyl)indazole-6-carboxylate;2,2,2-trifluoroacetaldehyde

C₆₄H₆₃Cl₂F₅N₁₂O₁₆ — CID 162262930

About [3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate;2-(3-carbamoyl-6-methoxycarbonylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methyl 3-carbamoyl-1-(2-oxopropyl)indazole-6-carboxylate;2,2,2-trifluoroacetaldehyde

[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate;2-(3-carbamoyl-6-methoxycarbonylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methyl 3-carbamoyl-1-(2-oxopropyl)indazole-6-carboxylate;2,2,2-trifluoroacetaldehyde (PubChem CID 162262930) has the molecular formula C₆₄H₆₃Cl₂F₅N₁₂O₁₆ and a molecular weight of 1422.17 g/mol. Its IUPAC name is [3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate;2-(3-carbamoyl-6-methoxycarbonylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methyl 3-carbamoyl-1-(2-oxopropyl)indazole-6-carboxylate;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: [3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate;2-(3-carbamoyl-6-methoxycarbonylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methyl 3-carbamoyl-1-(2-oxopropyl)indazole-6-carboxylate;2,2,2-trifluoroacetaldehyde
• PubChem CID: 162262930
• Molecular Formula: C₆₄H₆₃Cl₂F₅N₁₂O₁₆
• Molecular Weight: 1422.17 g/mol
• Exact Mass: 1420.38
• IUPAC Name: [3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate;2-(3-carbamoyl-6-methoxycarbonylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methyl 3-carbamoyl-1-(2-oxopropyl)indazole-6-carboxylate;2,2,2-trifluoroacetaldehyde
• SMILES: COC(=O)c1ccc2c(C(N)=O)nn(CC(=O)O)c2c1.COC(=O)c1ccc2c(C(N)=O)nn(CC(C)=O)c2c1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(COC=O)ccc12.O=C(CCC1CC1)NCc1cccc(Cl)c1F.O=CC(F)(F)F
• InChI: InChI=1S/C24H23ClFN5O5.C13H15ClFNO.C13H13N3O4.C12H11N3O5.C2HF3O/c25-18-3-1-2-15(22(18)26)9-28-20(33)10-30(16-5-6-16)21(34)11-31-19-8-14(12-36-13-32)4-7-17(19)23(29-31)24(27)35;14-11-3-1-2-10(13(11)15)8-16-12(17)7-6-9-4-5-9;1-7(17)6-16-10-5-8(13(19)20-2)3-4-9(10)11(15-16)12(14)18;1-20-12(19)6-2-3-7-8(4-6)15(5-9(16)17)14-10(7)11(13)18;3-2(4,5)1-6/h1-4,7-8,13,16H,5-6,9-12H2,(H2,27,35)(H,28,33);1-3,9H,4-8H2,(H,16,17);3-5H,6H2,1-2H3,(H2,14,18);2-4H,5H2,1H3,(H2,13,18)(H,16,17);1H
• InChIKey: ZZMPKUKDGQYFFP-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 411.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 24
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1422.17
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate;2-(3-carbamoyl-6-methoxycarbonylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methyl 3-carbamoyl-1-(2-oxopropyl)indazole-6-carboxylate;2,2,2-trifluoroacetaldehyde?

The IUPAC name of [3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate;2-(3-carbamoyl-6-methoxycarbonylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methyl 3-carbamoyl-1-(2-oxopropyl)indazole-6-carboxylate;2,2,2-trifluoroacetaldehyde (CID 162262930) is [3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate;2-(3-carbamoyl-6-methoxycarbonylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methyl 3-carbamoyl-1-(2-oxopropyl)indazole-6-carboxylate;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for [3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate;2-(3-carbamoyl-6-methoxycarbonylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methyl 3-carbamoyl-1-(2-oxopropyl)indazole-6-carboxylate;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for [3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate;2-(3-carbamoyl-6-methoxycarbonylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methyl 3-carbamoyl-1-(2-oxopropyl)indazole-6-carboxylate;2,2,2-trifluoroacetaldehyde is COC(=O)c1ccc2c(C(N)=O)nn(CC(=O)O)c2c1.COC(=O)c1ccc2c(C(N)=O)nn(CC(C)=O)c2c1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(COC=O)ccc12.O=C(CCC1CC1)NCc1cccc(Cl)c1F.O=CC(F)(F)F.

What is the InChIKey of [3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate;2-(3-carbamoyl-6-methoxycarbonylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methyl 3-carbamoyl-1-(2-oxopropyl)indazole-6-carboxylate;2,2,2-trifluoroacetaldehyde?

The InChIKey is ZZMPKUKDGQYFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O5.C13H15ClFNO.C13H13N3O4.C12H11N3O5.C2HF3O/c25-18-3-1-2-15(22(18)26)9-28-20(33)10-30(16-5-6-16)21(34)11-31-19-8-14(12-36-13-32)4-7-17(19)23(29-31)24(27)35;14-11-3-1-2-10(13(11)15)8-16-12(17)7-6-9-4-5-9;1-7(17)6-16-10-5-8(13(19)20-2)3-4-9(10)11(15-16)12(14)18;1-20-12(19)6-2-3-7-8(4-6)15(5-9(16)17)14-10(7)11(13)18;3-2(4,5)1-6/h1-4,7-8,13,16H,5-6,9-12H2,(H2,27,35)(H,28,33);1-3,9H,4-8H2,(H,16,17);3-5H,6H2,1-2H3,(H2,14,18);2-4H,5H2,1H3,(H2,13,18)(H,16,17);1H.

What are the key properties of [3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate;2-(3-carbamoyl-6-methoxycarbonylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methyl 3-carbamoyl-1-(2-oxopropyl)indazole-6-carboxylate;2,2,2-trifluoroacetaldehyde?

[3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate;2-(3-carbamoyl-6-methoxycarbonylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methyl 3-carbamoyl-1-(2-oxopropyl)indazole-6-carboxylate;2,2,2-trifluoroacetaldehyde has a molecular weight of 1422.17 g/mol, XLogP of 6.46, 24 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate;2-(3-carbamoyl-6-methoxycarbonylindazol-1-yl)acetic acid;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methyl 3-carbamoyl-1-(2-oxopropyl)indazole-6-carboxylate;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 162262930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162262930 — identifiers, structure, computed properties (public domain)

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