tert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate

C23H30N4O4 — CID 157176087

IUPACtert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccc2nn(CC(=O)N3CCN(C(=O)C4CC4)CC3)cc2c1
InChIInChI=1S/C23H30N4O4/c1-23(2,3)31-21(29)13-16-4-7-19-18(12-16)14-27(24-19)15-20(28)25-8-10-26(11-9-25)22(30)17-5-6-17/h4,7,12,14,17H,5-6,8-11,13,15H2,1-3H3
InChIKeyAOADIUURDZSXFK-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.00
Rot. Bonds5

About tert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate

tert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate (PubChem CID 157176087) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is tert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate
PubChem CID157176087
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Nametert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate
SMILESCC(C)(C)OC(=O)Cc1ccc2nn(CC(=O)N3CCN(C(=O)C4CC4)CC3)cc2c1
InChIInChI=1S/C23H30N4O4/c1-23(2,3)31-21(29)13-16-4-7-19-18(12-16)14-27(24-19)15-20(28)25-8-10-26(11-9-25)22(30)17-5-6-17/h4,7,12,14,17H,5-6,8-11,13,15H2,1-3H3
InChIKeyAOADIUURDZSXFK-UHFFFAOYSA-N
XLogP2.00
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 2-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]acetate
CID 157401907
2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid
CID 153087783
tert-butyl 2-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]acetate
CID 157297178
tert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate
CID 159929442
2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 148748797
2-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
CID 161200591
1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone
CID 158932992
tert-butyl 3-[(5-hydroxyindazol-2-yl)methyl]azetidine-1-carboxylate
CID 130407304
ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate
CID 118182502
tert-butyl 2-[[[6-[[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]carbamoyl]-2-pyridinyl]amino]methyl]azetidine-1-carboxylate
CID 118172871
ethyl 2-(2-methylindazol-5-yl)acetate
CID 155343728
N-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-6-fluoroindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
CID 118173008

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate?
The IUPAC name of tert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate (CID 157176087) is tert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate.
What is the SMILES notation for tert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate?
The canonical SMILES for tert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate is CC(C)(C)OC(=O)Cc1ccc2nn(CC(=O)N3CCN(C(=O)C4CC4)CC3)cc2c1.
What is the InChIKey of tert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate?
The InChIKey is AOADIUURDZSXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-23(2,3)31-21(29)13-16-4-7-19-18(12-16)14-27(24-19)15-20(28)25-8-10-26(11-9-25)22(30)17-5-6-17/h4,7,12,14,17H,5-6,8-11,13,15H2,1-3H3.
What are the key properties of tert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate?
tert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate has a molecular weight of 426.52 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate is sourced from PubChem (CID 157176087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).