methyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate

C12H17BrN2O2 — CID 116984622

IUPACmethyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1nc(Br)c2n1CCCC2
InChIInChI=1S/C12H17BrN2O2/c1-12(2,11(16)17-3)10-14-9(13)8-6-4-5-7-15(8)10/h4-7H2,1-3H3
InChIKeyGZZXEFIBWDCOHP-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.43
Rot. Bonds2

About methyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate

methyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate (PubChem CID 116984622) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is methyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate
PubChem CID116984622
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Namemethyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1nc(Br)c2n1CCCC2
InChIInChI=1S/C12H17BrN2O2/c1-12(2,11(16)17-3)10-14-9(13)8-6-4-5-7-15(8)10/h4-7H2,1-3H3
InChIKeyGZZXEFIBWDCOHP-UHFFFAOYSA-N
XLogP2.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate 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-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83865393
(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methanethiol
CID 117247227
2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)butan-1-ol
CID 116984663
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551185
ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate
CID 131355066
1-[1-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-N-methylmethanamine
CID 116984648
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551146
1-bromo-3-(4-propylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 116836759
2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-N-methylbutan-1-amine
CID 116984672
3-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247796
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]methanone
CID 22551154
N-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551110

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate (CID 116984622) is methyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate is COC(=O)C(C)(C)c1nc(Br)c2n1CCCC2.
What is the InChIKey of methyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate?
The InChIKey is GZZXEFIBWDCOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-12(2,11(16)17-3)10-14-9(13)8-6-4-5-7-15(8)10/h4-7H2,1-3H3.
What are the key properties of methyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate?
methyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate has a molecular weight of 301.18 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)-2-methylpropanoate is sourced from PubChem (CID 116984622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).