2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid

C78H89N11O9S2 — CID 157499035

IUPAC2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1CC(=O)c1cc(C2CC2)c2c(cnn2CCN2CCOCC2)c1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cc(C2CC2)c2c(cnn2CCN2CCOCC2)c1.O=C(O)c1cc(C2CC2)c2c(cnn2CCN2CCOCC2)c1
InChIInChI=1S/C33H38N4O4S.C28H30N4O2S.C17H21N3O3/c1-33(2,3)41-32(39)35-28-9-8-23(30-5-4-16-42-30)17-24(28)20-29(38)25-18-26-21-34-37(11-10-36-12-14-40-15-13-36)31(26)27(19-25)22-6-7-22;29-25-6-5-20(27-2-1-13-35-27)14-21(25)17-26(33)22-15-23-18-30-32(8-7-31-9-11-34-12-10-31)28(23)24(16-22)19-3-4-19;21-17(22)13-9-14-11-18-20(4-3-19-5-7-23-8-6-19)16(14)15(10-13)12-1-2-12/h4-5,8-9,16-19,21-22H,6-7,10-15,20H2,1-3H3,(H,35,39);1-2,5-6,13-16,18-19H,3-4,7-12,17,29H2;9-12H,1-8H2,(H,21,22)
InChIKeyBYEKLKICUOVCAS-UHFFFAOYSA-N
MW1388.77 g/mol
LogP13.67
Rot. Bonds22

About 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid

2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid (PubChem CID 157499035) has the molecular formula C78H89N11O9S2 and a molecular weight of 1388.77 g/mol. Its IUPAC name is 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid
PubChem CID157499035
Molecular FormulaC78H89N11O9S2
Molecular Weight1388.77 g/mol
Exact Mass1387.63
IUPAC Name2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1CC(=O)c1cc(C2CC2)c2c(cnn2CCN2CCOCC2)c1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cc(C2CC2)c2c(cnn2CCN2CCOCC2)c1.O=C(O)c1cc(C2CC2)c2c(cnn2CCN2CCOCC2)c1
InChIInChI=1S/C33H38N4O4S.C28H30N4O2S.C17H21N3O3/c1-33(2,3)41-32(39)35-28-9-8-23(30-5-4-16-42-30)17-24(28)20-29(38)25-18-26-21-34-37(11-10-36-12-14-40-15-13-36)31(26)27(19-25)22-6-7-22;29-25-6-5-20(27-2-1-13-35-27)14-21(25)17-26(33)22-15-23-18-30-32(8-7-31-9-11-34-12-10-31)28(23)24(16-22)19-3-4-19;21-17(22)13-9-14-11-18-20(4-3-19-5-7-23-8-6-19)16(14)15(10-13)12-1-2-12/h4-5,8-9,16-19,21-22H,6-7,10-15,20H2,1-3H3,(H,35,39);1-2,5-6,13-16,18-19H,3-4,7-12,17,29H2;9-12H,1-8H2,(H,21,22)
InChIKeyBYEKLKICUOVCAS-UHFFFAOYSA-N
XLogP13.67
TPSA226.66 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001388.77
LogP ≤ 513.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid?
The IUPAC name of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid (CID 157499035) is 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid?
The canonical SMILES for 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid is CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1CC(=O)c1cc(C2CC2)c2c(cnn2CCN2CCOCC2)c1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cc(C2CC2)c2c(cnn2CCN2CCOCC2)c1.O=C(O)c1cc(C2CC2)c2c(cnn2CCN2CCOCC2)c1.
What is the InChIKey of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid?
The InChIKey is BYEKLKICUOVCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O4S.C28H30N4O2S.C17H21N3O3/c1-33(2,3)41-32(39)35-28-9-8-23(30-5-4-16-42-30)17-24(28)20-29(38)25-18-26-21-34-37(11-10-36-12-14-40-15-13-36)31(26)27(19-25)22-6-7-22;29-25-6-5-20(27-2-1-13-35-27)14-21(25)17-26(33)22-15-23-18-30-32(8-7-31-9-11-34-12-10-31)28(23)24(16-22)19-3-4-19;21-17(22)13-9-14-11-18-20(4-3-19-5-7-23-8-6-19)16(14)15(10-13)12-1-2-12/h4-5,8-9,16-19,21-22H,6-7,10-15,20H2,1-3H3,(H,35,39);1-2,5-6,13-16,18-19H,3-4,7-12,17,29H2;9-12H,1-8H2,(H,21,22).
What are the key properties of 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid?
2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid has a molecular weight of 1388.77 g/mol, XLogP of 13.67, 22 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-thiophen-2-ylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone;tert-butyl N-[2-[2-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid is sourced from PubChem (CID 157499035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).