tert-butyl 2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate

C23H27N5O4 — CID 126643359

IUPACtert-butyl 2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate
SMILESCC(=O)c1nn(CC(=O)OC(C)(C)C)c2cc(C(=O)N(C)C)c(-c3cnc(C)nc3)cc12
InChIInChI=1S/C23H27N5O4/c1-13(29)21-18-8-16(15-10-24-14(2)25-11-15)17(22(31)27(6)7)9-19(18)28(26-21)12-20(30)32-23(3,4)5/h8-11H,12H2,1-7H3
InChIKeyIETCZXNAUOWHJI-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.05
Rot. Bonds5

About tert-butyl 2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate

tert-butyl 2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate (PubChem CID 126643359) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is tert-butyl 2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate
PubChem CID126643359
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Nametert-butyl 2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate
SMILESCC(=O)c1nn(CC(=O)OC(C)(C)C)c2cc(C(=O)N(C)C)c(-c3cnc(C)nc3)cc12
InChIInChI=1S/C23H27N5O4/c1-13(29)21-18-8-16(15-10-24-14(2)25-11-15)17(22(31)27(6)7)9-19(18)28(26-21)12-20(30)32-23(3,4)5/h8-11H,12H2,1-7H3
InChIKeyIETCZXNAUOWHJI-UHFFFAOYSA-N
XLogP3.05
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-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-[3-acetyl-5-(2-methylpyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetate
CID 135318480
tert-butyl 2-[3-acetyl-5-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]indazol-1-yl]acetate
CID 126623181
tert-butyl 2-[3-acetyl-7-(1-fluoroethyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate
CID 142420387
tert-butyl 2-[3-acetyl-5-(2-methyl-1-oxidopyrimidin-1-ium-5-yl)pyrazolo[3,4-c]pyridin-1-yl]acetate
CID 142420428
2-[3-acetyl-5-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyrimidin-5-yl]indazol-1-yl]acetic acid
CID 158799900
tert-butyl 2-[3-iodo-5-(2-methylpyrimidin-5-yl)thieno[3,2-c]pyrazol-1-yl]acetate
CID 126643408
tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-pyridazin-4-ylindol-1-yl]acetate
CID 135179501
tert-butyl 2-[3-acetyl-5-(2-methylpyrimidin-5-yl)-6-(2-pyrimidin-5-ylethynyl)indol-1-yl]acetate
CID 135171848
tert-butyl 2-[7-methyl-5-(2-methylpyrimidin-5-yl)-3-(piperidine-1-carbonyl)indazol-1-yl]acetate
CID 166697051
tert-butyl 2-[3-acetyl-5-[(E)-1-[1-(methylideneamino)ethylideneamino]prop-1-en-2-yl]-6-(2-methylpyrimidin-5-yl)indol-1-yl]acetate
CID 166696968
tert-butyl 2-[3-acetyl-5-[(Z)-1-(methylideneamino)-3-methyliminoprop-1-en-2-yl]indazol-1-yl]acetate;ethane;methanol
CID 142496222
1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone
CID 146415639

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate?
The IUPAC name of tert-butyl 2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate (CID 126643359) is tert-butyl 2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate is CC(=O)c1nn(CC(=O)OC(C)(C)C)c2cc(C(=O)N(C)C)c(-c3cnc(C)nc3)cc12.
What is the InChIKey of tert-butyl 2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate?
The InChIKey is IETCZXNAUOWHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-13(29)21-18-8-16(15-10-24-14(2)25-11-15)17(22(31)27(6)7)9-19(18)28(26-21)12-20(30)32-23(3,4)5/h8-11H,12H2,1-7H3.
What are the key properties of tert-butyl 2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate?
tert-butyl 2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate has a molecular weight of 437.50 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-acetyl-6-(dimethylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetate is sourced from PubChem (CID 126643359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).