tert-butyl 4-[3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoyl]piperazine-1-carboxylate

C27H30FN5O3 — CID 118382302

IUPACtert-butyl 4-[3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CCn2ncc3cc(-c4c[nH]c5cc(F)ccc45)ccc32)CC1
InChIInChI=1S/C27H30FN5O3/c1-27(2,3)36-26(35)32-12-10-31(11-13-32)25(34)8-9-33-24-7-4-18(14-19(24)16-30-33)22-17-29-23-15-20(28)5-6-21(22)23/h4-7,14-17,29H,8-13H2,1-3H3
InChIKeyIMTXQJKWZUDWLI-UHFFFAOYSA-N
MW491.57 g/mol
LogP4.79
Rot. Bonds4

About tert-butyl 4-[3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoyl]piperazine-1-carboxylate

tert-butyl 4-[3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoyl]piperazine-1-carboxylate (PubChem CID 118382302) has the molecular formula C27H30FN5O3 and a molecular weight of 491.57 g/mol. Its IUPAC name is tert-butyl 4-[3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoyl]piperazine-1-carboxylate
PubChem CID118382302
Molecular FormulaC27H30FN5O3
Molecular Weight491.57 g/mol
Exact Mass491.23
IUPAC Nametert-butyl 4-[3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CCn2ncc3cc(-c4c[nH]c5cc(F)ccc45)ccc32)CC1
InChIInChI=1S/C27H30FN5O3/c1-27(2,3)36-26(35)32-12-10-31(11-13-32)25(34)8-9-33-24-7-4-18(14-19(24)16-30-33)22-17-29-23-15-20(28)5-6-21(22)23/h4-7,14-17,29H,8-13H2,1-3H3
InChIKeyIMTXQJKWZUDWLI-UHFFFAOYSA-N
XLogP4.79
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoyl]piperazine-1-carboxylate 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 4-[3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoyl]piperazine-1-carboxylate (CID 118382302) is tert-butyl 4-[3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)CCn2ncc3cc(-c4c[nH]c5cc(F)ccc45)ccc32)CC1.
What is the InChIKey of tert-butyl 4-[3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoyl]piperazine-1-carboxylate?
The InChIKey is IMTXQJKWZUDWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O3/c1-27(2,3)36-26(35)32-12-10-31(11-13-32)25(34)8-9-33-24-7-4-18(14-19(24)16-30-33)22-17-29-23-15-20(28)5-6-21(22)23/h4-7,14-17,29H,8-13H2,1-3H3.
What are the key properties of tert-butyl 4-[3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoyl]piperazine-1-carboxylate?
tert-butyl 4-[3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoyl]piperazine-1-carboxylate has a molecular weight of 491.57 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 118382302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).