[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

IUPAC[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
SMILESCOC(=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
InChIInChI=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
InChIKeyZZMPKUKDGQYFFP-UHFFFAOYSA-N
MW1422.17 g/mol
LogP6.46
Rot. Bonds24

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 CID162262930
Molecular FormulaC64H63Cl2F5N12O16
Molecular Weight1422.17 g/mol
Exact Mass1420.38
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
SMILESCOC(=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
InChIInChI=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
InChIKeyZZMPKUKDGQYFFP-UHFFFAOYSA-N
XLogP6.46
TPSA411.58 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001422.17
LogP ≤ 56.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-6-carboxylate
CID 130299662
methyl 3-acetyl-1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-6-carboxylate
CID 71009631
3-Acetyl-1-{2-[(2S,3S,4S)-2-(3-chloro-2-fluoro-benzylcarbamoyl)-4-fluoro-3-methoxy-pyrrolidin-1-yl]-2-oxo-ethyl}-1H-indazole-6-carboxylic acid benzyl ester
CID 68284157
methyl 3-acetyl-1-[2-[[(2S)-1-[(3-chloro-2-fluorophenyl)methylamino]-3-cyclopropyl-1-oxopropan-2-yl]amino]-2-oxoethyl]indazole-6-carboxylate
CID 130322644
[3-Carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate
CID 141663741
(4S)-4-amino-1-(3-chloro-2-fluorophenyl)heptan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;(3-chloro-2-fluorophenyl)methanamine;(4S)-1-(3-chloro-2-fluorophenyl)-4-methylheptan-3-one;1-[2-[[(4S)-1-(3-chloro-2-fluorophenyl)-3-oxoheptan-4-yl]amino]-2-oxoethyl]indazole-3-carboxamide;methane;(2S)-2-methylpentanoic acid;2,2,2-trifluoroacetaldehyde
CID 158478875
tert-butyl 2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetate;2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-hydroxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2,2,2-trifluoroacetic acid
CID 159288062
2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-hydroxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;methane;2,2,2-trifluoroacetic acid
CID 160706084
[3-Acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazol-6-yl]methyl formate
CID 161286575
methyl 4-[(1S)-1-aminoethyl]benzoate;methyl 4-[(1S)-1-[[2-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carbonyl]amino]ethyl]benzoate;2-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid
CID 167561286
2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid;methyl 4-[(1S)-1-aminoethyl]benzoate;methyl 4-[(1S)-1-[[2-ethyl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carbonyl]amino]ethyl]benzoate
CID 167656443
methyl 4-[(1S)-1-aminoethyl]benzoate;methyl 4-[(1S)-1-[[2-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carbonyl]amino]ethyl]benzoate;2-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid
CID 167708036

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).