tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-(2-methyl-5-phenylphenyl)ethanone

C66H73N7O6 — CID 161383404

IUPACtert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-(2-methyl-5-phenylphenyl)ethanone
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1.Cc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1
InChIInChI=1S/C35H40N4O4.C31H33N3O2/c1-35(2,3)43-34(41)36-30-13-11-26(24-7-5-4-6-8-24)21-28(30)23-32(40)27-12-14-31-29(22-27)33(25-9-10-25)37-39(31)16-15-38-17-19-42-20-18-38;1-22-7-8-25(23-5-3-2-4-6-23)19-27(22)21-30(35)26-11-12-29-28(20-26)31(24-9-10-24)32-34(29)14-13-33-15-17-36-18-16-33/h4-8,11-14,21-22,25H,9-10,15-20,23H2,1-3H3,(H,36,41);2-8,11-12,19-20,24H,9-10,13-18,21H2,1H3
InChIKeyVSADLFBNYWYVEB-UHFFFAOYSA-N
MW1060.35 g/mol
LogP12.33
Rot. Bonds17

About tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-(2-methyl-5-phenylphenyl)ethanone

tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-(2-methyl-5-phenylphenyl)ethanone (PubChem CID 161383404) has the molecular formula C66H73N7O6 and a molecular weight of 1060.35 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-(2-methyl-5-phenylphenyl)ethanone.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-(2-methyl-5-phenylphenyl)ethanone
PubChem CID161383404
Molecular FormulaC66H73N7O6
Molecular Weight1060.35 g/mol
Exact Mass1059.56
IUPAC Nametert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-(2-methyl-5-phenylphenyl)ethanone
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1.Cc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1
InChIInChI=1S/C35H40N4O4.C31H33N3O2/c1-35(2,3)43-34(41)36-30-13-11-26(24-7-5-4-6-8-24)21-28(30)23-32(40)27-12-14-31-29(22-27)33(25-9-10-25)37-39(31)16-15-38-17-19-42-20-18-38;1-22-7-8-25(23-5-3-2-4-6-23)19-27(22)21-30(35)26-11-12-29-28(20-26)31(24-9-10-24)32-34(29)14-13-33-15-17-36-18-16-33/h4-8,11-14,21-22,25H,9-10,15-20,23H2,1-3H3,(H,36,41);2-8,11-12,19-20,24H,9-10,13-18,21H2,1H3
InChIKeyVSADLFBNYWYVEB-UHFFFAOYSA-N
XLogP12.33
TPSA133.05 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001060.35
LogP ≤ 512.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-(2-methyl-5-phenylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-(2-methyl-5-phenylphenyl)ethanone?
The IUPAC name of tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-(2-methyl-5-phenylphenyl)ethanone (CID 161383404) is tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-(2-methyl-5-phenylphenyl)ethanone.
What is the SMILES notation for tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-(2-methyl-5-phenylphenyl)ethanone?
The canonical SMILES for tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-(2-methyl-5-phenylphenyl)ethanone is CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1.Cc1ccc(-c2ccccc2)cc1CC(=O)c1ccc2c(c1)c(C1CC1)nn2CCN1CCOCC1.
What is the InChIKey of tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-(2-methyl-5-phenylphenyl)ethanone?
The InChIKey is VSADLFBNYWYVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N4O4.C31H33N3O2/c1-35(2,3)43-34(41)36-30-13-11-26(24-7-5-4-6-8-24)21-28(30)23-32(40)27-12-14-31-29(22-27)33(25-9-10-25)37-39(31)16-15-38-17-19-42-20-18-38;1-22-7-8-25(23-5-3-2-4-6-23)19-27(22)21-30(35)26-11-12-29-28(20-26)31(24-9-10-24)32-34(29)14-13-33-15-17-36-18-16-33/h4-8,11-14,21-22,25H,9-10,15-20,23H2,1-3H3,(H,36,41);2-8,11-12,19-20,24H,9-10,13-18,21H2,1H3.
What are the key properties of tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-(2-methyl-5-phenylphenyl)ethanone?
tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-(2-methyl-5-phenylphenyl)ethanone has a molecular weight of 1060.35 g/mol, XLogP of 12.33, 17 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-[3-cyclopropyl-1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-(2-methyl-5-phenylphenyl)ethanone is sourced from PubChem (CID 161383404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).