N-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide

C12H14BrN3O3 — CID 170831188

IUPACN-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1[nH]nc2cc(Br)ccc12
InChIInChI=1S/C12H14BrN3O3/c1-6(17)14-5-10(18)12(19)11-8-3-2-7(13)4-9(8)15-16-11/h2-4,10,12,18-19H,5H2,1H3,(H,14,17)(H,15,16)
InChIKeyQLOWUPINNIQYMN-UHFFFAOYSA-N
MW328.17 g/mol
LogP0.86
Rot. Bonds4

About N-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide

N-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170831188) has the molecular formula C12H14BrN3O3 and a molecular weight of 328.17 g/mol. Its IUPAC name is N-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide
PubChem CID170831188
Molecular FormulaC12H14BrN3O3
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC NameN-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1[nH]nc2cc(Br)ccc12
InChIInChI=1S/C12H14BrN3O3/c1-6(17)14-5-10(18)12(19)11-8-3-2-7(13)4-9(8)15-16-11/h2-4,10,12,18-19H,5H2,1H3,(H,14,17)(H,15,16)
InChIKeyQLOWUPINNIQYMN-UHFFFAOYSA-N
XLogP0.86
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide 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

3-bromo-1-(6-bromo-2H-indazol-3-yl)propane-1,2-diol
CID 171861112
1-(6-bromo-2H-indazol-3-yl)-4-(methylamino)butane-1,2-diol
CID 171891347
N-[3-(4-bromo-2-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831127
tert-butyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate
CID 170832275
N-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831363
N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170831115
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2H-indazol-3-yl)propyl]carbamate
CID 170834333
N-[3-(3-bromo-4-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831130
N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
CID 170829471
N-[3-(2-bromo-5-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170831474
N-[3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831287
N-[3-(2-bromo-4,5-dimethoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831307

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide (CID 170831188) is N-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1[nH]nc2cc(Br)ccc12.
What is the InChIKey of N-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is QLOWUPINNIQYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3/c1-6(17)14-5-10(18)12(19)11-8-3-2-7(13)4-9(8)15-16-11/h2-4,10,12,18-19H,5H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide?
N-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 328.17 g/mol, XLogP of 0.86, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-bromo-2H-indazol-3-yl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170831188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).